Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
495912 | 2l7h RC | 6822 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2l7h
save_distance_constraint_statistics_1
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 1
_Distance_constraint_stats_list.Constraint_count 982
_Distance_constraint_stats_list.Viol_count 1614
_Distance_constraint_stats_list.Viol_total 2752.200
_Distance_constraint_stats_list.Viol_max 1.301
_Distance_constraint_stats_list.Viol_rms 0.0785
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0087
_Distance_constraint_stats_list.Viol_average_violations_only 0.0947
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 6 THR 0.000 0.000 . 0 "[ . 1 . ]"
1 7 ILE 0.000 0.000 . 0 "[ . 1 . ]"
1 8 THR 5.401 0.842 9 3 "[ *. +1 -. ]"
1 9 ARG 0.290 0.042 18 0 "[ . 1 . ]"
1 10 PRO 0.096 0.027 14 0 "[ . 1 . ]"
1 11 ILE 0.029 0.013 3 0 "[ . 1 . ]"
1 12 ILE 0.579 0.274 4 0 "[ . 1 . ]"
1 13 GLU 1.107 0.078 14 0 "[ . 1 . ]"
1 14 LEU 1.108 0.070 12 0 "[ . 1 . ]"
1 15 SER 29.744 1.102 1 18 [+*******-*********]
1 16 ASN 1.719 0.078 14 0 "[ . 1 . ]"
1 17 THR 1.056 0.070 12 0 "[ . 1 . ]"
1 18 ALA 1.433 0.049 15 0 "[ . 1 . ]"
1 19 ASP 1.076 0.054 14 0 "[ . 1 . ]"
1 20 LYS 1.381 0.058 10 0 "[ . 1 . ]"
1 21 ILE 1.781 0.058 10 0 "[ . 1 . ]"
1 22 ALA 1.468 0.068 18 0 "[ . 1 . ]"
1 23 GLU 2.169 0.083 14 0 "[ . 1 . ]"
1 24 GLY 1.376 0.083 14 0 "[ . 1 . ]"
1 25 ASN 0.312 0.044 13 0 "[ . 1 . ]"
1 26 LEU 0.002 0.002 12 0 "[ . 1 . ]"
1 27 GLU 0.002 0.002 12 0 "[ . 1 . ]"
1 28 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 29 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 30 VAL 0.160 0.024 16 0 "[ . 1 . ]"
1 31 PRO 0.110 0.017 16 0 "[ . 1 . ]"
1 32 HIS 0.339 0.038 14 0 "[ . 1 . ]"
1 33 GLN 0.484 0.036 1 0 "[ . 1 . ]"
1 34 ASN 0.000 0.000 . 0 "[ . 1 . ]"
1 35 ARG 1.511 0.076 4 0 "[ . 1 . ]"
1 36 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 37 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 38 GLU 7.895 0.827 15 9 "[*** . *** *+ -]"
1 39 ILE 1.156 0.076 4 0 "[ . 1 . ]"
1 40 GLY 0.006 0.006 6 0 "[ . 1 . ]"
1 41 ILE 0.345 0.034 7 0 "[ . 1 . ]"
1 42 LEU 32.856 1.095 6 18 [*****+*********-**]
1 43 ALA 1.926 0.076 9 0 "[ . 1 . ]"
1 44 LYS 1.407 0.076 9 0 "[ . 1 . ]"
1 45 SER 1.062 0.042 14 0 "[ . 1 . ]"
1 46 ILE 0.884 0.042 14 0 "[ . 1 . ]"
1 47 GLU 0.595 0.040 7 0 "[ . 1 . ]"
1 48 ARG 1.002 0.041 14 0 "[ . 1 . ]"
1 49 LEU 42.766 1.301 11 18 [*-********+*******]
1 50 ARG 1.039 0.066 7 0 "[ . 1 . ]"
1 51 ARG 1.141 0.066 7 0 "[ . 1 . ]"
1 52 SER 1.041 0.050 4 0 "[ . 1 . ]"
1 53 LEU 1.064 0.050 4 0 "[ . 1 . ]"
1 54 LYS 0.896 0.049 14 0 "[ . 1 . ]"
1 55 VAL 0.252 0.022 16 0 "[ . 1 . ]"
1 56 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 57 MET 0.283 0.049 1 0 "[ . 1 . ]"
1 58 GLU 0.075 0.022 16 0 "[ . 1 . ]"
2 6 THR 0.000 0.000 . 0 "[ . 1 . ]"
2 7 ILE 0.000 0.000 . 0 "[ . 1 . ]"
2 8 THR 7.880 0.827 15 9 "[*** . *** *+ -]"
2 9 ARG 0.258 0.032 14 0 "[ . 1 . ]"
2 10 PRO 0.183 0.024 8 0 "[ . 1 . ]"
2 11 ILE 0.034 0.011 10 0 "[ . 1 . ]"
2 12 ILE 0.293 0.039 15 0 "[ . 1 . ]"
2 13 GLU 1.411 0.086 15 0 "[ . 1 . ]"
2 14 LEU 1.316 0.058 15 0 "[ . 1 . ]"
2 15 SER 28.679 1.095 6 18 [*****+*********-**]
2 16 ASN 1.658 0.086 15 0 "[ . 1 . ]"
2 17 THR 1.082 0.058 15 0 "[ . 1 . ]"
2 18 ALA 1.033 0.033 9 0 "[ . 1 . ]"
2 19 ASP 1.107 0.036 2 0 "[ . 1 . ]"
2 20 LYS 1.738 0.064 10 0 "[ . 1 . ]"
2 21 ILE 1.697 0.064 10 0 "[ . 1 . ]"
2 22 ALA 1.305 0.057 12 0 "[ . 1 . ]"
2 23 GLU 2.062 0.083 11 0 "[ . 1 . ]"
2 24 GLY 1.340 0.083 11 0 "[ . 1 . ]"
2 25 ASN 0.410 0.059 18 0 "[ . 1 . ]"
2 26 LEU 0.012 0.010 6 0 "[ . 1 . ]"
2 27 GLU 0.015 0.010 6 0 "[ . 1 . ]"
2 28 ALA 0.003 0.003 4 0 "[ . 1 . ]"
2 29 GLU 0.000 0.000 . 0 "[ . 1 . ]"
2 30 VAL 0.094 0.014 13 0 "[ . 1 . ]"
2 31 PRO 0.104 0.013 11 0 "[ . 1 . ]"
2 32 HIS 0.455 0.033 7 0 "[ . 1 . ]"
2 33 GLN 0.430 0.040 12 0 "[ . 1 . ]"
2 34 ASN 0.000 0.000 . 0 "[ . 1 . ]"
2 35 ARG 1.483 0.073 5 0 "[ . 1 . ]"
2 36 ALA 0.000 0.000 . 0 "[ . 1 . ]"
2 37 ASP 0.000 0.000 . 0 "[ . 1 . ]"
2 38 GLU 5.674 0.842 9 3 "[ *. +1 -. ]"
2 39 ILE 1.125 0.073 5 0 "[ . 1 . ]"
2 40 GLY 0.028 0.015 18 0 "[ . 1 . ]"
2 41 ILE 0.368 0.034 6 0 "[ . 1 . ]"
2 42 LEU 33.682 1.102 1 18 [+*******-*********]
2 43 ALA 1.942 0.063 11 0 "[ . 1 . ]"
2 44 LYS 1.431 0.063 11 0 "[ . 1 . ]"
2 45 SER 1.194 0.049 8 0 "[ . 1 . ]"
2 46 ILE 0.870 0.049 8 0 "[ . 1 . ]"
2 47 GLU 0.698 0.040 13 0 "[ . 1 . ]"
2 48 ARG 1.189 0.046 8 0 "[ . 1 . ]"
2 49 LEU 42.762 1.301 11 18 [*-********+*******]
2 50 ARG 1.122 0.058 6 0 "[ . 1 . ]"
2 51 ARG 1.219 0.058 6 0 "[ . 1 . ]"
2 52 SER 0.941 0.043 8 0 "[ . 1 . ]"
2 53 LEU 0.596 0.043 8 0 "[ . 1 . ]"
2 54 LYS 0.821 0.043 13 0 "[ . 1 . ]"
2 55 VAL 0.511 0.043 13 0 "[ . 1 . ]"
2 56 ALA 0.023 0.013 13 0 "[ . 1 . ]"
2 57 MET 0.387 0.042 2 0 "[ . 1 . ]"
2 58 GLU 0.143 0.030 8 0 "[ . 1 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 7 ILE H 1 7 ILE MG 0.000 . 4.800 3.771 3.760 3.779 . 0 0 "[ . 1 . ]" 1
2 1 7 ILE H 1 7 ILE HA 2.700 2.700 7.700 2.845 2.828 2.870 . 0 0 "[ . 1 . ]" 1
3 1 7 ILE H 1 7 ILE QG 0.000 . 4.000 2.038 1.993 2.676 . 0 0 "[ . 1 . ]" 1
4 1 8 THR H 1 8 THR HA 2.700 2.700 7.700 2.826 2.808 2.849 . 0 0 "[ . 1 . ]" 1
5 1 9 ARG H 1 9 ARG QB 0.000 . 3.500 2.320 2.232 2.458 . 0 0 "[ . 1 . ]" 1
6 1 9 ARG H 1 9 ARG HA 2.700 2.700 7.700 2.804 2.786 2.849 . 0 0 "[ . 1 . ]" 1
7 1 11 ILE HA 1 11 ILE MG 0.000 . 3.500 2.265 2.183 2.416 . 0 0 "[ . 1 . ]" 1
8 1 11 ILE H 1 11 ILE HB 0.000 . 2.700 2.624 2.509 2.699 . 0 0 "[ . 1 . ]" 1
9 1 11 ILE H 1 11 ILE HA 2.700 2.700 7.700 2.852 2.843 2.862 . 0 0 "[ . 1 . ]" 1
10 1 11 ILE H 1 11 ILE MD 0.000 . 4.000 3.030 2.830 3.205 . 0 0 "[ . 1 . ]" 1
11 1 11 ILE H 1 11 ILE QG 0.000 . 4.000 2.009 1.995 2.088 . 0 0 "[ . 1 . ]" 1
12 1 12 ILE H 1 12 ILE QG 0.000 . 4.000 2.020 2.000 2.089 . 0 0 "[ . 1 . ]" 1
13 1 12 ILE H 1 12 ILE HA 2.700 2.700 7.700 2.842 2.830 2.855 . 0 0 "[ . 1 . ]" 1
14 1 12 ILE H 1 12 ILE HB 0.000 . 2.700 2.581 2.502 2.675 . 0 0 "[ . 1 . ]" 1
15 1 12 ILE H 1 12 ILE MD 0.000 . 4.800 3.114 2.983 3.247 . 0 0 "[ . 1 . ]" 1
16 1 12 ILE HA 1 12 ILE MG 0.000 . 3.500 2.336 2.231 2.465 . 0 0 "[ . 1 . ]" 1
17 1 13 GLU H 1 13 GLU HA 2.700 2.700 7.700 2.825 2.822 2.829 . 0 0 "[ . 1 . ]" 1
18 1 13 GLU H 1 13 GLU HB2 0.000 . 3.200 2.337 2.199 2.560 . 0 0 "[ . 1 . ]" 1
19 1 14 LEU H 1 14 LEU HA 2.700 2.700 7.700 2.831 2.825 2.837 . 0 0 "[ . 1 . ]" 1
20 1 14 LEU H 1 14 LEU MD1 0.000 . 4.000 3.253 3.117 3.346 . 0 0 "[ . 1 . ]" 1
21 1 15 SER H 1 15 SER HA 2.700 2.700 7.700 2.819 2.814 2.822 . 0 0 "[ . 1 . ]" 1
22 1 16 ASN H 1 16 ASN HA 2.700 2.700 7.700 2.823 2.817 2.826 . 0 0 "[ . 1 . ]" 1
23 1 17 THR H 1 17 THR HB 0.000 . 2.700 2.680 2.631 2.718 0.018 16 0 "[ . 1 . ]" 1
24 1 17 THR H 1 17 THR HA 2.700 2.700 7.700 2.824 2.817 2.835 . 0 0 "[ . 1 . ]" 1
25 1 18 ALA H 1 18 ALA HA 2.700 2.700 7.700 2.819 2.811 2.828 . 0 0 "[ . 1 . ]" 1
26 1 19 ASP H 1 19 ASP HA 2.700 2.700 7.700 2.820 2.812 2.837 . 0 0 "[ . 1 . ]" 1
27 1 20 LYS H 1 20 LYS HA 2.700 2.700 7.700 2.806 2.802 2.813 . 0 0 "[ . 1 . ]" 1
28 1 21 ILE H 1 21 ILE HA 2.700 2.700 7.700 2.831 2.824 2.841 . 0 0 "[ . 1 . ]" 1
29 1 21 ILE H 1 21 ILE HB 0.000 . 3.200 2.535 2.510 2.580 . 0 0 "[ . 1 . ]" 1
30 1 22 ALA H 1 22 ALA HA 2.700 2.700 7.700 2.804 2.797 2.813 . 0 0 "[ . 1 . ]" 1
31 1 23 GLU H 1 23 GLU HA 2.700 2.700 7.700 2.871 2.865 2.877 . 0 0 "[ . 1 . ]" 1
32 1 24 GLY H 1 24 GLY HA2 0.000 . 2.700 2.398 2.389 2.409 . 0 0 "[ . 1 . ]" 1
33 1 24 GLY H 1 24 GLY HA3 2.700 2.700 7.700 2.943 2.937 2.948 . 0 0 "[ . 1 . ]" 1
34 1 25 ASN HB2 1 25 ASN HD21 0.000 . 2.700 2.526 2.280 2.730 0.030 1 0 "[ . 1 . ]" 1
35 1 25 ASN H 1 25 ASN HA 2.700 2.700 7.700 2.965 2.961 2.971 . 0 0 "[ . 1 . ]" 1
36 1 26 LEU H 1 26 LEU HB2 0.000 . 3.200 2.642 2.593 2.699 . 0 0 "[ . 1 . ]" 1
37 1 26 LEU H 1 26 LEU MD2 0.000 . 4.800 2.995 2.861 3.159 . 0 0 "[ . 1 . ]" 1
38 1 26 LEU H 1 26 LEU HA 2.700 2.700 7.700 2.847 2.830 2.859 . 0 0 "[ . 1 . ]" 1
39 1 26 LEU H 1 26 LEU HG 0.000 . 2.700 2.016 2.005 2.023 . 0 0 "[ . 1 . ]" 1
40 1 27 GLU H 1 27 GLU HA 2.700 2.700 7.700 2.912 2.905 2.924 . 0 0 "[ . 1 . ]" 1
41 1 27 GLU H 1 27 GLU HB3 0.000 . 4.000 3.591 3.542 3.633 . 0 0 "[ . 1 . ]" 1
42 1 27 GLU H 1 27 GLU HB2 0.000 . 3.200 2.349 2.255 2.464 . 0 0 "[ . 1 . ]" 1
43 1 27 GLU H 1 27 GLU QG 0.000 . 4.000 2.711 2.390 3.477 . 0 0 "[ . 1 . ]" 1
44 1 28 ALA H 1 28 ALA HA 2.700 2.700 7.700 2.810 2.797 2.816 . 0 0 "[ . 1 . ]" 1
45 1 29 GLU H 1 29 GLU QG 0.000 . 4.000 2.456 2.091 3.111 . 0 0 "[ . 1 . ]" 1
46 1 29 GLU H 1 29 GLU HA 2.700 2.700 7.700 2.899 2.883 2.909 . 0 0 "[ . 1 . ]" 1
47 1 30 VAL H 1 30 VAL HA 2.700 2.700 7.700 2.883 2.875 2.901 . 0 0 "[ . 1 . ]" 1
48 1 30 VAL H 1 30 VAL HB 0.000 . 3.200 2.591 2.540 2.626 . 0 0 "[ . 1 . ]" 1
49 1 30 VAL H 1 30 VAL MG2 0.000 . 3.500 2.102 2.011 2.273 . 0 0 "[ . 1 . ]" 1
50 1 32 HIS HB2 1 32 HIS HD2 0.000 . 3.200 2.743 2.734 2.754 . 0 0 "[ . 1 . ]" 1
51 1 32 HIS H 1 32 HIS HA 0.000 . 2.700 2.289 2.286 2.291 . 0 0 "[ . 1 . ]" 1
52 1 33 GLN HB3 1 33 GLN HE21 3.200 3.200 8.200 4.108 3.972 4.251 . 0 0 "[ . 1 . ]" 1
53 1 33 GLN H 1 33 GLN QG 0.000 . 3.500 2.582 2.360 2.799 . 0 0 "[ . 1 . ]" 1
54 1 33 GLN H 1 33 GLN HA 2.700 2.700 7.700 2.842 2.831 2.850 . 0 0 "[ . 1 . ]" 1
55 1 34 ASN H 1 34 ASN HA 2.700 2.700 7.700 2.889 2.884 2.900 . 0 0 "[ . 1 . ]" 1
56 1 35 ARG H 1 35 ARG HA 2.700 2.700 7.700 2.833 2.828 2.836 . 0 0 "[ . 1 . ]" 1
57 1 35 ARG HB2 1 35 ARG HE 3.200 3.200 8.200 3.571 3.465 3.661 . 0 0 "[ . 1 . ]" 1
58 1 35 ARG H 1 35 ARG QG 0.000 . 3.500 2.637 2.522 2.787 . 0 0 "[ . 1 . ]" 1
59 1 35 ARG HB3 1 35 ARG HE 0.000 . 3.200 2.509 2.378 2.652 . 0 0 "[ . 1 . ]" 1
60 1 37 ASP H 1 37 ASP HA 2.700 2.700 7.700 2.887 2.881 2.891 . 0 0 "[ . 1 . ]" 1
61 1 38 GLU H 1 38 GLU HA 2.700 2.700 7.700 2.780 2.768 2.800 . 0 0 "[ . 1 . ]" 1
62 1 39 ILE H 1 39 ILE HA 2.700 2.700 7.700 2.888 2.885 2.890 . 0 0 "[ . 1 . ]" 1
63 1 39 ILE H 1 39 ILE QG 0.000 . 4.000 2.056 2.013 2.089 . 0 0 "[ . 1 . ]" 1
64 1 40 GLY H 1 40 GLY HA3 0.000 . 2.700 2.315 2.309 2.318 . 0 0 "[ . 1 . ]" 1
65 1 40 GLY H 1 40 GLY HA2 2.700 2.700 7.700 2.841 2.838 2.845 . 0 0 "[ . 1 . ]" 1
66 1 41 ILE H 1 41 ILE QG 0.000 . 3.500 1.996 1.991 2.004 . 0 0 "[ . 1 . ]" 1
67 1 41 ILE H 1 41 ILE HA 2.700 2.700 7.700 2.835 2.829 2.839 . 0 0 "[ . 1 . ]" 1
68 1 42 LEU H 1 42 LEU QD 0.000 . 4.800 3.667 3.647 3.682 . 0 0 "[ . 1 . ]" 1
69 1 42 LEU H 1 42 LEU HA 2.700 2.700 7.700 2.819 2.814 2.825 . 0 0 "[ . 1 . ]" 1
70 1 43 ALA H 1 43 ALA HA 2.700 2.700 7.700 2.803 2.800 2.806 . 0 0 "[ . 1 . ]" 1
71 1 44 LYS H 1 44 LYS HA 2.700 2.700 7.700 2.814 2.807 2.823 . 0 0 "[ . 1 . ]" 1
72 1 45 SER H 1 45 SER HA 2.700 2.700 7.700 2.819 2.815 2.824 . 0 0 "[ . 1 . ]" 1
73 1 46 ILE H 1 46 ILE HA 2.700 2.700 7.700 2.837 2.829 2.843 . 0 0 "[ . 1 . ]" 1
74 1 46 ILE H 1 46 ILE QG 0.000 . 3.500 1.998 1.991 2.005 . 0 0 "[ . 1 . ]" 1
75 1 47 GLU H 1 47 GLU HA 2.700 2.700 7.700 2.816 2.812 2.822 . 0 0 "[ . 1 . ]" 1
76 1 48 ARG H 1 48 ARG HA 2.700 2.700 7.700 2.815 2.812 2.823 . 0 0 "[ . 1 . ]" 1
77 1 49 LEU H 1 49 LEU QD 0.000 . 4.800 3.069 2.971 3.138 . 0 0 "[ . 1 . ]" 1
78 1 49 LEU H 1 49 LEU HG 0.000 . 3.200 2.206 2.063 2.364 . 0 0 "[ . 1 . ]" 1
79 1 49 LEU H 1 49 LEU HA 2.700 2.700 7.700 2.821 2.817 2.828 . 0 0 "[ . 1 . ]" 1
80 1 50 ARG HB2 1 50 ARG HD3 0.000 . 2.700 2.379 2.258 2.561 . 0 0 "[ . 1 . ]" 1
81 1 50 ARG HB3 1 50 ARG HE 0.000 . 2.700 2.663 2.487 2.730 0.030 9 0 "[ . 1 . ]" 1
82 1 50 ARG HB2 1 50 ARG HE 2.700 2.700 4.000 3.304 3.198 3.422 . 0 0 "[ . 1 . ]" 1
83 1 50 ARG H 1 50 ARG HA 2.700 2.700 7.700 2.807 2.793 2.814 . 0 0 "[ . 1 . ]" 1
84 1 51 ARG H 1 51 ARG HA 2.700 2.700 7.700 2.822 2.816 2.835 . 0 0 "[ . 1 . ]" 1
85 1 52 SER H 1 52 SER HA 2.700 2.700 7.700 2.811 2.803 2.821 . 0 0 "[ . 1 . ]" 1
86 1 53 LEU H 1 53 LEU HA 2.700 2.700 7.700 2.830 2.827 2.835 . 0 0 "[ . 1 . ]" 1
87 1 54 LYS H 1 54 LYS HA 2.700 2.700 7.700 2.819 2.812 2.831 . 0 0 "[ . 1 . ]" 1
88 1 55 VAL H 1 55 VAL HA 2.700 2.700 7.700 2.863 2.852 2.869 . 0 0 "[ . 1 . ]" 1
89 1 56 ALA H 1 56 ALA HA 2.700 2.700 7.700 2.829 2.818 2.844 . 0 0 "[ . 1 . ]" 1
90 1 57 MET H 1 57 MET HA 2.700 2.700 7.700 2.912 2.897 2.928 . 0 0 "[ . 1 . ]" 1
91 1 58 GLU H 1 58 GLU HA 2.700 2.700 7.700 2.846 2.818 2.887 . 0 0 "[ . 1 . ]" 1
92 2 7 ILE H 2 7 ILE MG 0.000 . 4.800 3.790 3.769 3.833 . 0 0 "[ . 1 . ]" 1
93 2 7 ILE H 2 7 ILE HA 2.700 2.700 7.700 2.879 2.844 2.942 . 0 0 "[ . 1 . ]" 1
94 2 7 ILE H 2 7 ILE QG 0.000 . 4.000 2.074 1.995 2.417 . 0 0 "[ . 1 . ]" 1
95 2 8 THR H 2 8 THR HA 2.700 2.700 7.700 2.833 2.818 2.847 . 0 0 "[ . 1 . ]" 1
96 2 9 ARG H 2 9 ARG QB 0.000 . 3.500 2.340 2.199 2.510 . 0 0 "[ . 1 . ]" 1
97 2 9 ARG H 2 9 ARG HA 2.700 2.700 7.700 2.801 2.785 2.831 . 0 0 "[ . 1 . ]" 1
98 2 11 ILE HA 2 11 ILE MG 0.000 . 3.500 2.267 2.203 2.377 . 0 0 "[ . 1 . ]" 1
99 2 11 ILE H 2 11 ILE HB 0.000 . 2.700 2.619 2.542 2.694 . 0 0 "[ . 1 . ]" 1
100 2 11 ILE H 2 11 ILE HA 2.700 2.700 7.700 2.850 2.840 2.865 . 0 0 "[ . 1 . ]" 1
101 2 11 ILE H 2 11 ILE MD 0.000 . 4.000 3.037 2.922 3.159 . 0 0 "[ . 1 . ]" 1
102 2 11 ILE H 2 11 ILE QG 0.000 . 4.000 2.008 2.000 2.037 . 0 0 "[ . 1 . ]" 1
103 2 12 ILE H 2 12 ILE QG 0.000 . 4.000 2.019 2.002 2.059 . 0 0 "[ . 1 . ]" 1
104 2 12 ILE H 2 12 ILE HA 2.700 2.700 7.700 2.836 2.826 2.850 . 0 0 "[ . 1 . ]" 1
105 2 12 ILE H 2 12 ILE HB 0.000 . 2.700 2.572 2.511 2.691 . 0 0 "[ . 1 . ]" 1
106 2 12 ILE H 2 12 ILE MD 0.000 . 4.800 3.116 2.939 3.248 . 0 0 "[ . 1 . ]" 1
107 2 12 ILE HA 2 12 ILE MG 0.000 . 3.500 2.349 2.230 2.490 . 0 0 "[ . 1 . ]" 1
108 2 13 GLU H 2 13 GLU HA 2.700 2.700 7.700 2.824 2.823 2.826 . 0 0 "[ . 1 . ]" 1
109 2 13 GLU H 2 13 GLU HB2 0.000 . 3.200 2.320 2.210 2.488 . 0 0 "[ . 1 . ]" 1
110 2 14 LEU H 2 14 LEU HA 2.700 2.700 7.700 2.833 2.826 2.846 . 0 0 "[ . 1 . ]" 1
111 2 14 LEU H 2 14 LEU MD1 0.000 . 4.000 3.274 3.072 3.345 . 0 0 "[ . 1 . ]" 1
112 2 15 SER H 2 15 SER HA 2.700 2.700 7.700 2.820 2.817 2.825 . 0 0 "[ . 1 . ]" 1
113 2 16 ASN H 2 16 ASN HA 2.700 2.700 7.700 2.823 2.820 2.828 . 0 0 "[ . 1 . ]" 1
114 2 17 THR H 2 17 THR HB 0.000 . 2.700 2.687 2.623 2.732 0.032 10 0 "[ . 1 . ]" 1
115 2 17 THR H 2 17 THR HA 2.700 2.700 7.700 2.827 2.817 2.833 . 0 0 "[ . 1 . ]" 1
116 2 18 ALA H 2 18 ALA HA 2.700 2.700 7.700 2.813 2.807 2.821 . 0 0 "[ . 1 . ]" 1
117 2 19 ASP H 2 19 ASP HA 2.700 2.700 7.700 2.819 2.814 2.833 . 0 0 "[ . 1 . ]" 1
118 2 20 LYS H 2 20 LYS HA 2.700 2.700 7.700 2.804 2.801 2.809 . 0 0 "[ . 1 . ]" 1
119 2 21 ILE H 2 21 ILE HA 2.700 2.700 7.700 2.836 2.829 2.845 . 0 0 "[ . 1 . ]" 1
120 2 21 ILE H 2 21 ILE HB 0.000 . 3.200 2.542 2.507 2.579 . 0 0 "[ . 1 . ]" 1
121 2 22 ALA H 2 22 ALA HA 2.700 2.700 7.700 2.803 2.798 2.809 . 0 0 "[ . 1 . ]" 1
122 2 23 GLU H 2 23 GLU HA 2.700 2.700 7.700 2.874 2.867 2.887 . 0 0 "[ . 1 . ]" 1
123 2 24 GLY H 2 24 GLY HA2 0.000 . 2.700 2.396 2.385 2.409 . 0 0 "[ . 1 . ]" 1
124 2 24 GLY H 2 24 GLY HA3 2.700 2.700 7.700 2.941 2.933 2.947 . 0 0 "[ . 1 . ]" 1
125 2 25 ASN HB2 2 25 ASN HD21 0.000 . 2.700 2.463 2.268 2.726 0.026 2 0 "[ . 1 . ]" 1
126 2 25 ASN H 2 25 ASN HA 2.700 2.700 7.700 2.966 2.962 2.972 . 0 0 "[ . 1 . ]" 1
127 2 26 LEU H 2 26 LEU HB2 0.000 . 3.200 2.644 2.567 2.690 . 0 0 "[ . 1 . ]" 1
128 2 26 LEU H 2 26 LEU MD2 0.000 . 4.800 2.999 2.850 3.190 . 0 0 "[ . 1 . ]" 1
129 2 26 LEU H 2 26 LEU HA 2.700 2.700 7.700 2.848 2.835 2.861 . 0 0 "[ . 1 . ]" 1
130 2 26 LEU H 2 26 LEU HG 0.000 . 2.700 2.019 2.008 2.034 . 0 0 "[ . 1 . ]" 1
131 2 27 GLU H 2 27 GLU HA 2.700 2.700 7.700 2.911 2.907 2.920 . 0 0 "[ . 1 . ]" 1
132 2 27 GLU H 2 27 GLU HB3 0.000 . 4.000 3.586 3.529 3.624 . 0 0 "[ . 1 . ]" 1
133 2 27 GLU H 2 27 GLU HB2 0.000 . 3.200 2.334 2.240 2.406 . 0 0 "[ . 1 . ]" 1
134 2 27 GLU H 2 27 GLU QG 0.000 . 4.000 2.782 2.488 3.524 . 0 0 "[ . 1 . ]" 1
135 2 28 ALA H 2 28 ALA HA 2.700 2.700 7.700 2.810 2.797 2.814 . 0 0 "[ . 1 . ]" 1
136 2 29 GLU H 2 29 GLU QG 0.000 . 4.000 2.433 2.068 2.898 . 0 0 "[ . 1 . ]" 1
137 2 29 GLU H 2 29 GLU HA 2.700 2.700 7.700 2.896 2.865 2.913 . 0 0 "[ . 1 . ]" 1
138 2 30 VAL H 2 30 VAL HA 2.700 2.700 7.700 2.878 2.874 2.887 . 0 0 "[ . 1 . ]" 1
139 2 30 VAL H 2 30 VAL HB 0.000 . 3.200 2.602 2.550 2.654 . 0 0 "[ . 1 . ]" 1
140 2 30 VAL H 2 30 VAL MG2 0.000 . 3.500 2.116 2.004 2.237 . 0 0 "[ . 1 . ]" 1
141 2 32 HIS HB2 2 32 HIS HD2 0.000 . 3.200 2.743 2.732 2.753 . 0 0 "[ . 1 . ]" 1
142 2 32 HIS H 2 32 HIS HA 0.000 . 2.700 2.289 2.284 2.295 . 0 0 "[ . 1 . ]" 1
143 2 33 GLN HB3 2 33 GLN HE21 3.200 3.200 8.200 4.155 4.019 4.290 . 0 0 "[ . 1 . ]" 1
144 2 33 GLN H 2 33 GLN QG 0.000 . 3.500 2.586 2.419 2.746 . 0 0 "[ . 1 . ]" 1
145 2 33 GLN H 2 33 GLN HA 2.700 2.700 7.700 2.849 2.831 2.863 . 0 0 "[ . 1 . ]" 1
146 2 34 ASN H 2 34 ASN HA 2.700 2.700 7.700 2.890 2.884 2.901 . 0 0 "[ . 1 . ]" 1
147 2 35 ARG H 2 35 ARG HA 2.700 2.700 7.700 2.833 2.830 2.838 . 0 0 "[ . 1 . ]" 1
148 2 35 ARG HB2 2 35 ARG HE 3.200 3.200 8.200 3.564 3.442 3.686 . 0 0 "[ . 1 . ]" 1
149 2 35 ARG H 2 35 ARG QG 0.000 . 3.500 2.641 2.400 2.810 . 0 0 "[ . 1 . ]" 1
150 2 35 ARG HB3 2 35 ARG HE 0.000 . 3.200 2.468 2.315 2.576 . 0 0 "[ . 1 . ]" 1
151 2 37 ASP H 2 37 ASP HA 2.700 2.700 7.700 2.888 2.881 2.903 . 0 0 "[ . 1 . ]" 1
152 2 38 GLU H 2 38 GLU HA 2.700 2.700 7.700 2.782 2.762 2.794 . 0 0 "[ . 1 . ]" 1
153 2 39 ILE H 2 39 ILE HA 2.700 2.700 7.700 2.888 2.884 2.891 . 0 0 "[ . 1 . ]" 1
154 2 39 ILE H 2 39 ILE QG 0.000 . 4.000 2.062 2.030 2.110 . 0 0 "[ . 1 . ]" 1
155 2 40 GLY H 2 40 GLY HA3 0.000 . 2.700 2.311 2.302 2.317 . 0 0 "[ . 1 . ]" 1
156 2 40 GLY H 2 40 GLY HA2 2.700 2.700 7.700 2.840 2.835 2.844 . 0 0 "[ . 1 . ]" 1
157 2 41 ILE H 2 41 ILE QG 0.000 . 3.500 1.996 1.989 2.009 . 0 0 "[ . 1 . ]" 1
158 2 41 ILE H 2 41 ILE HA 2.700 2.700 7.700 2.836 2.832 2.841 . 0 0 "[ . 1 . ]" 1
159 2 42 LEU H 2 42 LEU QD 0.000 . 4.800 3.667 3.627 3.680 . 0 0 "[ . 1 . ]" 1
160 2 42 LEU H 2 42 LEU HA 2.700 2.700 7.700 2.819 2.814 2.825 . 0 0 "[ . 1 . ]" 1
161 2 43 ALA H 2 43 ALA HA 2.700 2.700 7.700 2.802 2.800 2.807 . 0 0 "[ . 1 . ]" 1
162 2 44 LYS H 2 44 LYS HA 2.700 2.700 7.700 2.813 2.807 2.817 . 0 0 "[ . 1 . ]" 1
163 2 45 SER H 2 45 SER HA 2.700 2.700 7.700 2.820 2.816 2.826 . 0 0 "[ . 1 . ]" 1
164 2 46 ILE H 2 46 ILE HA 2.700 2.700 7.700 2.836 2.826 2.843 . 0 0 "[ . 1 . ]" 1
165 2 46 ILE H 2 46 ILE QG 0.000 . 3.500 1.997 1.991 2.005 . 0 0 "[ . 1 . ]" 1
166 2 47 GLU H 2 47 GLU HA 2.700 2.700 7.700 2.816 2.811 2.820 . 0 0 "[ . 1 . ]" 1
167 2 48 ARG H 2 48 ARG HA 2.700 2.700 7.700 2.817 2.811 2.819 . 0 0 "[ . 1 . ]" 1
168 2 49 LEU H 2 49 LEU QD 0.000 . 4.800 3.043 2.919 3.141 . 0 0 "[ . 1 . ]" 1
169 2 49 LEU H 2 49 LEU HG 0.000 . 3.200 2.152 2.036 2.349 . 0 0 "[ . 1 . ]" 1
170 2 49 LEU H 2 49 LEU HA 2.700 2.700 7.700 2.822 2.814 2.828 . 0 0 "[ . 1 . ]" 1
171 2 50 ARG HB2 2 50 ARG HD3 0.000 . 2.700 2.361 2.206 2.442 . 0 0 "[ . 1 . ]" 1
172 2 50 ARG HB3 2 50 ARG HE 0.000 . 2.700 2.695 2.610 2.734 0.034 12 0 "[ . 1 . ]" 1
173 2 50 ARG HB2 2 50 ARG HE 2.700 2.700 4.000 3.290 3.141 3.418 . 0 0 "[ . 1 . ]" 1
174 2 50 ARG H 2 50 ARG HA 2.700 2.700 7.700 2.807 2.799 2.813 . 0 0 "[ . 1 . ]" 1
175 2 51 ARG H 2 51 ARG HA 2.700 2.700 7.700 2.820 2.814 2.831 . 0 0 "[ . 1 . ]" 1
176 2 52 SER H 2 52 SER HA 2.700 2.700 7.700 2.817 2.810 2.825 . 0 0 "[ . 1 . ]" 1
177 2 53 LEU H 2 53 LEU HA 2.700 2.700 7.700 2.829 2.822 2.837 . 0 0 "[ . 1 . ]" 1
178 2 54 LYS H 2 54 LYS HA 2.700 2.700 7.700 2.823 2.815 2.836 . 0 0 "[ . 1 . ]" 1
179 2 55 VAL H 2 55 VAL HA 2.700 2.700 7.700 2.847 2.833 2.862 . 0 0 "[ . 1 . ]" 1
180 2 56 ALA H 2 56 ALA HA 2.700 2.700 7.700 2.827 2.813 2.860 . 0 0 "[ . 1 . ]" 1
181 2 57 MET H 2 57 MET HA 2.700 2.700 7.700 2.922 2.898 2.946 . 0 0 "[ . 1 . ]" 1
182 2 58 GLU H 2 58 GLU HA 2.700 2.700 7.700 2.871 2.819 2.961 . 0 0 "[ . 1 . ]" 1
183 1 7 ILE H 1 8 THR H 0.000 . 2.700 2.617 2.521 2.689 . 0 0 "[ . 1 . ]" 1
184 1 6 THR HA 1 7 ILE H 3.200 3.200 8.200 3.528 3.503 3.561 . 0 0 "[ . 1 . ]" 1
185 1 7 ILE HA 1 8 THR H 3.200 3.200 8.200 3.509 3.478 3.520 . 0 0 "[ . 1 . ]" 1
186 1 7 ILE HB 1 8 THR H 0.000 . 4.000 2.976 2.797 3.279 . 0 0 "[ . 1 . ]" 1
187 1 8 THR H 1 9 ARG H 0.000 . 2.700 2.672 2.599 2.721 0.021 15 0 "[ . 1 . ]" 1
188 1 8 THR HA 1 9 ARG H 3.200 3.200 8.200 3.524 3.510 3.558 . 0 0 "[ . 1 . ]" 1
189 1 9 ARG H 1 10 PRO QD 0.000 . 3.500 2.260 2.168 2.336 . 0 0 "[ . 1 . ]" 1
190 1 8 THR HB 1 9 ARG H 0.000 . 4.000 2.807 2.532 2.935 . 0 0 "[ . 1 . ]" 1
191 1 10 PRO HA 1 11 ILE H 3.200 3.200 8.200 3.532 3.511 3.555 . 0 0 "[ . 1 . ]" 1
192 1 11 ILE H 1 12 ILE H 0.000 . 2.700 2.652 2.582 2.713 0.013 3 0 "[ . 1 . ]" 1
193 1 10 PRO HB2 1 11 ILE H 0.000 . 4.000 3.286 3.186 3.378 . 0 0 "[ . 1 . ]" 1
194 1 11 ILE HA 1 12 ILE H 3.200 3.200 8.200 3.568 3.539 3.591 . 0 0 "[ . 1 . ]" 1
195 1 12 ILE H 1 13 GLU H 0.000 . 2.700 2.626 2.544 2.667 . 0 0 "[ . 1 . ]" 1
196 1 12 ILE HA 1 13 GLU H 3.200 3.200 8.200 3.541 3.528 3.563 . 0 0 "[ . 1 . ]" 1
197 1 13 GLU H 1 14 LEU H 0.000 . 2.700 2.710 2.692 2.725 0.025 13 0 "[ . 1 . ]" 1
198 1 13 GLU HA 1 14 LEU H 3.200 3.200 8.200 3.557 3.550 3.568 . 0 0 "[ . 1 . ]" 1
199 1 14 LEU H 1 15 SER H 0.000 . 2.700 2.697 2.677 2.719 0.019 2 0 "[ . 1 . ]" 1
200 1 14 LEU HA 1 15 SER H 3.200 3.200 8.200 3.559 3.548 3.576 . 0 0 "[ . 1 . ]" 1
201 1 15 SER H 1 16 ASN H 0.000 . 2.700 2.718 2.712 2.728 0.028 17 0 "[ . 1 . ]" 1
202 1 15 SER HG 1 16 ASN H 0.000 . 3.500 3.015 2.104 3.444 . 0 0 "[ . 1 . ]" 1
203 1 16 ASN H 1 17 THR H 0.000 . 2.700 2.712 2.676 2.733 0.033 7 0 "[ . 1 . ]" 1
204 1 15 SER HA 1 16 ASN H 3.200 3.200 8.200 3.555 3.539 3.566 . 0 0 "[ . 1 . ]" 1
205 1 16 ASN HB3 1 17 THR H 0.000 . 4.000 3.388 3.237 3.597 . 0 0 "[ . 1 . ]" 1
206 1 16 ASN HB2 1 17 THR H 0.000 . 3.200 2.760 2.624 2.836 . 0 0 "[ . 1 . ]" 1
207 1 16 ASN HA 1 17 THR H 3.200 3.200 8.200 3.559 3.534 3.570 . 0 0 "[ . 1 . ]" 1
208 1 17 THR H 1 18 ALA H 0.000 . 2.700 2.709 2.679 2.738 0.038 17 0 "[ . 1 . ]" 1
209 1 17 THR HA 1 18 ALA H 3.200 3.200 8.200 3.564 3.551 3.574 . 0 0 "[ . 1 . ]" 1
210 1 18 ALA H 1 19 ASP H 0.000 . 2.700 2.724 2.702 2.737 0.037 16 0 "[ . 1 . ]" 1
211 1 17 THR MG 1 18 ALA H 0.000 . 4.800 3.725 3.639 3.831 . 0 0 "[ . 1 . ]" 1
212 1 17 THR HB 1 18 ALA H 0.000 . 2.700 2.584 2.485 2.681 . 0 0 "[ . 1 . ]" 1
213 1 19 ASP H 1 20 LYS H 0.000 . 2.700 2.717 2.704 2.727 0.027 3 0 "[ . 1 . ]" 1
214 1 18 ALA HA 1 19 ASP H 3.200 3.200 8.200 3.553 3.536 3.564 . 0 0 "[ . 1 . ]" 1
215 1 18 ALA MB 1 19 ASP H 0.000 . 3.500 2.538 2.472 2.671 . 0 0 "[ . 1 . ]" 1
216 1 20 LYS H 1 21 ILE H 0.000 . 2.700 2.746 2.735 2.758 0.058 10 0 "[ . 1 . ]" 1
217 1 19 ASP HA 1 20 LYS H 3.200 3.200 8.200 3.550 3.539 3.562 . 0 0 "[ . 1 . ]" 1
218 1 20 LYS HA 1 21 ILE H 3.200 3.200 8.200 3.544 3.539 3.550 . 0 0 "[ . 1 . ]" 1
219 1 21 ILE H 1 22 ALA H 0.000 . 2.700 2.733 2.719 2.747 0.047 14 0 "[ . 1 . ]" 1
220 1 22 ALA H 1 23 GLU H 0.000 . 2.700 2.745 2.724 2.768 0.068 18 0 "[ . 1 . ]" 1
221 1 21 ILE HA 1 22 ALA H 3.200 3.200 8.200 3.564 3.558 3.573 . 0 0 "[ . 1 . ]" 1
222 1 22 ALA HA 1 23 GLU H 3.200 3.200 8.200 3.526 3.518 3.541 . 0 0 "[ . 1 . ]" 1
223 1 22 ALA MB 1 23 GLU H 0.000 . 4.000 2.692 2.601 2.738 . 0 0 "[ . 1 . ]" 1
224 1 23 GLU H 1 24 GLY H 0.000 . 2.700 2.774 2.759 2.783 0.083 14 0 "[ . 1 . ]" 1
225 1 24 GLY H 1 25 ASN H 0.000 . 3.200 2.097 2.078 2.125 . 0 0 "[ . 1 . ]" 1
226 1 23 GLU HA 1 24 GLY H 3.200 3.200 8.200 3.345 3.315 3.370 . 0 0 "[ . 1 . ]" 1
227 1 24 GLY HA3 1 25 ASN H 2.700 2.700 7.700 3.510 3.500 3.518 . 0 0 "[ . 1 . ]" 1
228 1 25 ASN H 1 26 LEU H 2.700 2.700 4.000 3.807 3.777 3.822 . 0 0 "[ . 1 . ]" 1
229 1 24 GLY HA2 1 25 ASN H 2.700 2.700 7.700 3.047 2.975 3.087 . 0 0 "[ . 1 . ]" 1
230 1 26 LEU H 1 27 GLU H 0.000 . 2.700 2.640 2.571 2.702 0.002 12 0 "[ . 1 . ]" 1
231 1 25 ASN HA 1 26 LEU H 0.000 . 2.700 2.307 2.293 2.331 . 0 0 "[ . 1 . ]" 1
232 1 25 ASN QB 1 26 LEU H 0.000 . 4.800 3.808 3.796 3.826 . 0 0 "[ . 1 . ]" 1
233 1 27 GLU H 1 28 ALA H 0.000 . 2.700 2.614 2.468 2.693 . 0 0 "[ . 1 . ]" 1
234 1 26 LEU HA 1 27 GLU H 2.700 2.700 7.700 3.485 3.441 3.502 . 0 0 "[ . 1 . ]" 1
235 1 28 ALA H 1 29 GLU H 3.200 3.200 8.200 4.554 4.452 4.608 . 0 0 "[ . 1 . ]" 1
236 1 27 GLU HA 1 28 ALA H 2.700 2.700 7.700 3.341 3.246 3.448 . 0 0 "[ . 1 . ]" 1
237 1 29 GLU HA 1 30 VAL MG2 0.000 . 4.800 3.625 3.482 3.774 . 0 0 "[ . 1 . ]" 1
238 1 29 GLU H 1 30 VAL H 4.000 4.000 9.000 4.487 4.433 4.552 . 0 0 "[ . 1 . ]" 1
239 1 28 ALA HA 1 29 GLU H 0.000 . 2.700 2.158 2.139 2.184 . 0 0 "[ . 1 . ]" 1
240 1 30 VAL MG1 1 31 PRO HD2 0.000 . 3.500 2.103 1.984 2.287 . 0 0 "[ . 1 . ]" 1
241 1 30 VAL MG1 1 31 PRO HD3 0.000 . 4.800 3.073 2.945 3.361 . 0 0 "[ . 1 . ]" 1
242 1 30 VAL HA 1 31 PRO HD3 0.000 . 2.700 2.122 2.069 2.266 . 0 0 "[ . 1 . ]" 1
243 1 30 VAL H 1 31 PRO HD3 3.200 3.200 8.200 4.769 4.713 4.877 . 0 0 "[ . 1 . ]" 1
244 1 30 VAL H 1 31 PRO HD2 3.200 3.200 8.200 5.291 5.177 5.338 . 0 0 "[ . 1 . ]" 1
245 1 29 GLU HA 1 30 VAL H 0.000 . 2.700 2.172 2.155 2.188 . 0 0 "[ . 1 . ]" 1
246 1 30 VAL HA 1 31 PRO HD2 0.000 . 2.700 2.660 2.482 2.717 0.017 16 0 "[ . 1 . ]" 1
247 1 31 PRO HG2 1 32 HIS HD2 0.000 . 3.200 2.276 2.134 2.465 . 0 0 "[ . 1 . ]" 1
248 1 31 PRO HG3 1 32 HIS HD2 0.000 . 4.000 3.876 3.757 4.014 0.014 14 0 "[ . 1 . ]" 1
249 1 31 PRO HB3 1 32 HIS H 0.000 . 4.000 3.555 3.512 3.640 . 0 0 "[ . 1 . ]" 1
250 1 32 HIS H 1 33 GLN H 0.000 . 3.200 2.736 2.678 2.771 . 0 0 "[ . 1 . ]" 1
251 1 31 PRO HB2 1 32 HIS H 0.000 . 3.200 2.582 2.532 2.763 . 0 0 "[ . 1 . ]" 1
252 1 31 PRO HA 1 32 HIS H 0.000 . 2.700 2.416 2.344 2.438 . 0 0 "[ . 1 . ]" 1
253 1 32 HIS HA 1 33 GLN H 0.000 . 3.200 3.024 2.930 3.079 . 0 0 "[ . 1 . ]" 1
254 1 33 GLN H 1 34 ASN H 0.000 . 2.700 2.625 2.594 2.662 . 0 0 "[ . 1 . ]" 1
255 1 33 GLN HA 1 34 ASN H 3.200 3.200 8.200 3.504 3.495 3.508 . 0 0 "[ . 1 . ]" 1
256 1 34 ASN H 1 35 ARG H 0.000 . 2.700 2.554 2.511 2.599 . 0 0 "[ . 1 . ]" 1
257 1 34 ASN HA 1 35 ARG H 2.700 2.700 7.700 3.459 3.433 3.482 . 0 0 "[ . 1 . ]" 1
258 1 34 ASN QB 1 35 ARG H 0.000 . 4.800 3.246 3.078 3.779 . 0 0 "[ . 1 . ]" 1
259 1 37 ASP H 1 38 GLU H 3.200 3.200 8.200 4.444 4.419 4.459 . 0 0 "[ . 1 . ]" 1
260 1 36 ALA MB 1 37 ASP H 0.000 . 4.000 3.066 2.983 3.144 . 0 0 "[ . 1 . ]" 1
261 1 36 ALA HA 1 37 ASP H 2.700 2.700 7.700 3.478 3.453 3.492 . 0 0 "[ . 1 . ]" 1
262 1 37 ASP HA 1 38 GLU H 2.700 2.700 7.700 2.770 2.742 2.788 . 0 0 "[ . 1 . ]" 1
263 1 38 GLU H 1 39 ILE H 0.000 . 3.200 2.846 2.767 2.888 . 0 0 "[ . 1 . ]" 1
264 1 39 ILE H 1 40 GLY H 0.000 . 3.200 2.450 2.433 2.486 . 0 0 "[ . 1 . ]" 1
265 1 38 GLU HG3 1 39 ILE H 3.500 3.500 8.500 5.042 4.892 5.191 . 0 0 "[ . 1 . ]" 1
266 1 38 GLU HG2 1 39 ILE H 3.500 3.500 8.500 4.395 4.355 4.478 . 0 0 "[ . 1 . ]" 1
267 1 38 GLU HA 1 39 ILE H 3.200 3.200 8.200 3.542 3.522 3.560 . 0 0 "[ . 1 . ]" 1
268 1 39 ILE HA 1 40 GLY H 3.200 3.200 8.200 3.530 3.518 3.548 . 0 0 "[ . 1 . ]" 1
269 1 39 ILE MG 1 40 GLY H 0.000 . 4.800 3.746 3.690 3.811 . 0 0 "[ . 1 . ]" 1
270 1 40 GLY H 1 41 ILE H 0.000 . 2.700 2.674 2.643 2.706 0.006 6 0 "[ . 1 . ]" 1
271 1 40 GLY HA3 1 41 ILE H 2.700 2.700 7.700 2.861 2.816 2.896 . 0 0 "[ . 1 . ]" 1
272 1 41 ILE H 1 42 LEU H 0.000 . 2.700 2.718 2.707 2.734 0.034 7 0 "[ . 1 . ]" 1
273 1 40 GLY HA2 1 41 ILE H 3.200 3.200 8.200 3.547 3.530 3.562 . 0 0 "[ . 1 . ]" 1
274 1 42 LEU H 1 43 ALA H 0.000 . 2.700 2.742 2.727 2.758 0.058 7 0 "[ . 1 . ]" 1
275 1 41 ILE HA 1 42 LEU H 3.200 3.200 8.200 3.568 3.557 3.576 . 0 0 "[ . 1 . ]" 1
276 1 41 ILE MG 1 42 LEU H 0.000 . 4.800 3.523 3.466 3.605 . 0 0 "[ . 1 . ]" 1
277 1 42 LEU HA 1 43 ALA H 3.200 3.200 8.200 3.555 3.547 3.564 . 0 0 "[ . 1 . ]" 1
278 1 43 ALA H 1 44 LYS H 0.000 . 2.700 2.752 2.740 2.776 0.076 9 0 "[ . 1 . ]" 1
279 1 44 LYS H 1 45 SER H 0.000 . 2.700 2.726 2.719 2.736 0.036 1 0 "[ . 1 . ]" 1
280 1 43 ALA HA 1 44 LYS H 3.200 3.200 8.200 3.546 3.539 3.554 . 0 0 "[ . 1 . ]" 1
281 1 45 SER H 1 46 ILE H 0.000 . 2.700 2.733 2.723 2.742 0.042 14 0 "[ . 1 . ]" 1
282 1 44 LYS HA 1 45 SER H 3.200 3.200 8.200 3.548 3.537 3.554 . 0 0 "[ . 1 . ]" 1
283 1 46 ILE H 1 47 GLU H 0.000 . 2.700 2.684 2.639 2.727 0.027 4 0 "[ . 1 . ]" 1
284 1 45 SER HA 1 46 ILE H 3.200 3.200 8.200 3.560 3.551 3.567 . 0 0 "[ . 1 . ]" 1
285 1 47 GLU H 1 48 ARG H 0.000 . 2.700 2.724 2.712 2.740 0.040 7 0 "[ . 1 . ]" 1
286 1 46 ILE HB 1 47 GLU H 0.000 . 3.200 2.693 2.604 2.766 . 0 0 "[ . 1 . ]" 1
287 1 46 ILE HA 1 47 GLU H 3.200 3.200 8.200 3.551 3.528 3.561 . 0 0 "[ . 1 . ]" 1
288 1 48 ARG H 1 49 LEU H 0.000 . 2.700 2.731 2.716 2.741 0.041 14 0 "[ . 1 . ]" 1
289 1 47 GLU HA 1 48 ARG H 3.200 3.200 8.200 3.549 3.538 3.561 . 0 0 "[ . 1 . ]" 1
290 1 47 GLU QB 1 48 ARG H 0.000 . 4.000 2.612 2.556 2.685 . 0 0 "[ . 1 . ]" 1
291 1 49 LEU H 1 50 ARG H 0.000 . 2.700 2.718 2.706 2.729 0.029 8 0 "[ . 1 . ]" 1
292 1 48 ARG HB3 1 49 LEU H 0.000 . 4.000 3.454 3.312 3.556 . 0 0 "[ . 1 . ]" 1
293 1 48 ARG HA 1 49 LEU H 3.200 3.200 8.200 3.547 3.539 3.557 . 0 0 "[ . 1 . ]" 1
294 1 48 ARG HB2 1 49 LEU H 0.000 . 4.000 2.640 2.500 2.798 . 0 0 "[ . 1 . ]" 1
295 1 50 ARG H 1 51 ARG H 0.000 . 2.700 2.733 2.715 2.766 0.066 7 0 "[ . 1 . ]" 1
296 1 49 LEU HA 1 50 ARG H 3.200 3.200 8.200 3.551 3.540 3.568 . 0 0 "[ . 1 . ]" 1
297 1 49 LEU QB 1 50 ARG H 0.000 . 4.000 2.563 2.496 2.607 . 0 0 "[ . 1 . ]" 1
298 1 51 ARG H 1 52 SER H 0.000 . 2.700 2.723 2.701 2.749 0.049 12 0 "[ . 1 . ]" 1
299 1 50 ARG HA 1 51 ARG H 3.200 3.200 8.200 3.537 3.515 3.548 . 0 0 "[ . 1 . ]" 1
300 1 50 ARG QB 1 51 ARG H 0.000 . 4.000 2.534 2.416 2.692 . 0 0 "[ . 1 . ]" 1
301 1 51 ARG QB 1 52 SER H 0.000 . 4.000 2.513 2.314 2.674 . 0 0 "[ . 1 . ]" 1
302 1 52 SER H 1 53 LEU H 0.000 . 2.700 2.733 2.709 2.750 0.050 4 0 "[ . 1 . ]" 1
303 1 51 ARG HA 1 52 SER H 3.200 3.200 8.200 3.560 3.547 3.571 . 0 0 "[ . 1 . ]" 1
304 1 53 LEU H 1 54 LYS H 0.000 . 2.700 2.722 2.706 2.749 0.049 14 0 "[ . 1 . ]" 1
305 1 52 SER HA 1 53 LEU H 3.200 3.200 8.200 3.537 3.527 3.546 . 0 0 "[ . 1 . ]" 1
306 1 54 LYS H 1 55 VAL H 0.000 . 2.700 2.705 2.669 2.720 0.020 12 0 "[ . 1 . ]" 1
307 1 53 LEU HA 1 54 LYS H 3.200 3.200 8.200 3.564 3.556 3.577 . 0 0 "[ . 1 . ]" 1
308 1 53 LEU QB 1 54 LYS H 0.000 . 4.000 2.466 2.387 2.569 . 0 0 "[ . 1 . ]" 1
309 1 54 LYS HA 1 55 VAL H 3.200 3.200 8.200 3.540 3.528 3.551 . 0 0 "[ . 1 . ]" 1
310 1 55 VAL H 1 56 ALA H 0.000 . 2.700 2.516 2.491 2.566 . 0 0 "[ . 1 . ]" 1
311 1 54 LYS QB 1 55 VAL H 0.000 . 4.000 2.620 2.509 2.682 . 0 0 "[ . 1 . ]" 1
312 1 56 ALA H 1 57 MET H 0.000 . 2.700 2.634 2.585 2.691 . 0 0 "[ . 1 . ]" 1
313 1 55 VAL HA 1 56 ALA H 3.200 3.200 8.200 3.522 3.518 3.533 . 0 0 "[ . 1 . ]" 1
314 1 55 VAL HB 1 56 ALA H 0.000 . 3.200 2.786 2.670 2.885 . 0 0 "[ . 1 . ]" 1
315 1 56 ALA MB 1 57 MET HG2 0.000 . 4.000 3.334 3.302 3.345 . 0 0 "[ . 1 . ]" 1
316 1 56 ALA MB 1 57 MET H 0.000 . 3.200 2.641 2.600 2.673 . 0 0 "[ . 1 . ]" 1
317 1 56 ALA HA 1 57 MET H 3.200 3.200 8.200 3.525 3.511 3.540 . 0 0 "[ . 1 . ]" 1
318 1 57 MET H 1 58 GLU H 0.000 . 2.700 2.400 2.264 2.696 . 0 0 "[ . 1 . ]" 1
319 1 56 ALA MB 1 57 MET HG3 0.000 . 4.000 3.039 2.896 3.168 . 0 0 "[ . 1 . ]" 1
320 1 57 MET HA 1 58 GLU H 3.200 3.200 8.200 3.480 3.272 3.515 . 0 0 "[ . 1 . ]" 1
321 2 7 ILE H 2 8 THR H 0.000 . 2.700 2.475 2.165 2.581 . 0 0 "[ . 1 . ]" 1
322 2 6 THR HA 2 7 ILE H 3.200 3.200 8.200 3.518 3.500 3.554 . 0 0 "[ . 1 . ]" 1
323 2 7 ILE HA 2 8 THR H 3.200 3.200 8.200 3.514 3.495 3.523 . 0 0 "[ . 1 . ]" 1
324 2 7 ILE HB 2 8 THR H 0.000 . 4.000 2.896 2.775 3.102 . 0 0 "[ . 1 . ]" 1
325 2 8 THR H 2 9 ARG H 0.000 . 2.700 2.652 2.606 2.715 0.015 9 0 "[ . 1 . ]" 1
326 2 8 THR HA 2 9 ARG H 3.200 3.200 8.200 3.526 3.505 3.557 . 0 0 "[ . 1 . ]" 1
327 2 9 ARG H 2 10 PRO QD 0.000 . 3.500 2.269 2.179 2.319 . 0 0 "[ . 1 . ]" 1
328 2 8 THR HB 2 9 ARG H 0.000 . 4.000 2.793 2.573 2.995 . 0 0 "[ . 1 . ]" 1
329 2 10 PRO HA 2 11 ILE H 3.200 3.200 8.200 3.529 3.513 3.554 . 0 0 "[ . 1 . ]" 1
330 2 11 ILE H 2 12 ILE H 0.000 . 2.700 2.659 2.587 2.711 0.011 10 0 "[ . 1 . ]" 1
331 2 10 PRO HB2 2 11 ILE H 0.000 . 4.000 3.310 3.193 3.383 . 0 0 "[ . 1 . ]" 1
332 2 11 ILE HA 2 12 ILE H 3.200 3.200 8.200 3.572 3.551 3.593 . 0 0 "[ . 1 . ]" 1
333 2 12 ILE H 2 13 GLU H 0.000 . 2.700 2.645 2.589 2.691 . 0 0 "[ . 1 . ]" 1
334 2 12 ILE HA 2 13 GLU H 3.200 3.200 8.200 3.539 3.527 3.550 . 0 0 "[ . 1 . ]" 1
335 2 13 GLU H 2 14 LEU H 0.000 . 2.700 2.718 2.703 2.732 0.032 10 0 "[ . 1 . ]" 1
336 2 13 GLU HA 2 14 LEU H 3.200 3.200 8.200 3.561 3.556 3.569 . 0 0 "[ . 1 . ]" 1
337 2 14 LEU H 2 15 SER H 0.000 . 2.700 2.685 2.628 2.710 0.010 18 0 "[ . 1 . ]" 1
338 2 14 LEU HA 2 15 SER H 3.200 3.200 8.200 3.552 3.538 3.564 . 0 0 "[ . 1 . ]" 1
339 2 15 SER H 2 16 ASN H 0.000 . 2.700 2.715 2.707 2.725 0.025 3 0 "[ . 1 . ]" 1
340 2 15 SER HG 2 16 ASN H 0.000 . 3.500 2.842 2.146 3.326 . 0 0 "[ . 1 . ]" 1
341 2 16 ASN H 2 17 THR H 0.000 . 2.700 2.710 2.694 2.724 0.024 17 0 "[ . 1 . ]" 1
342 2 15 SER HA 2 16 ASN H 3.200 3.200 8.200 3.562 3.553 3.577 . 0 0 "[ . 1 . ]" 1
343 2 16 ASN HB3 2 17 THR H 0.000 . 4.000 3.406 3.294 3.510 . 0 0 "[ . 1 . ]" 1
344 2 16 ASN HB2 2 17 THR H 0.000 . 3.200 2.753 2.650 2.801 . 0 0 "[ . 1 . ]" 1
345 2 16 ASN HA 2 17 THR H 3.200 3.200 8.200 3.558 3.543 3.567 . 0 0 "[ . 1 . ]" 1
346 2 17 THR H 2 18 ALA H 0.000 . 2.700 2.700 2.672 2.717 0.017 4 0 "[ . 1 . ]" 1
347 2 17 THR HA 2 18 ALA H 3.200 3.200 8.200 3.563 3.554 3.576 . 0 0 "[ . 1 . ]" 1
348 2 18 ALA H 2 19 ASP H 0.000 . 2.700 2.724 2.714 2.733 0.033 9 0 "[ . 1 . ]" 1
349 2 17 THR MG 2 18 ALA H 0.000 . 4.800 3.734 3.652 3.827 . 0 0 "[ . 1 . ]" 1
350 2 17 THR HB 2 18 ALA H 0.000 . 2.700 2.579 2.522 2.659 . 0 0 "[ . 1 . ]" 1
351 2 19 ASP H 2 20 LYS H 0.000 . 2.700 2.724 2.710 2.736 0.036 2 0 "[ . 1 . ]" 1
352 2 18 ALA HA 2 19 ASP H 3.200 3.200 8.200 3.546 3.532 3.552 . 0 0 "[ . 1 . ]" 1
353 2 18 ALA MB 2 19 ASP H 0.000 . 3.500 2.552 2.491 2.666 . 0 0 "[ . 1 . ]" 1
354 2 20 LYS H 2 21 ILE H 0.000 . 2.700 2.751 2.741 2.764 0.064 10 0 "[ . 1 . ]" 1
355 2 19 ASP HA 2 20 LYS H 3.200 3.200 8.200 3.556 3.546 3.568 . 0 0 "[ . 1 . ]" 1
356 2 20 LYS HA 2 21 ILE H 3.200 3.200 8.200 3.541 3.534 3.547 . 0 0 "[ . 1 . ]" 1
357 2 21 ILE H 2 22 ALA H 0.000 . 2.700 2.726 2.713 2.743 0.043 11 0 "[ . 1 . ]" 1
358 2 22 ALA H 2 23 GLU H 0.000 . 2.700 2.743 2.729 2.757 0.057 12 0 "[ . 1 . ]" 1
359 2 21 ILE HA 2 22 ALA H 3.200 3.200 8.200 3.568 3.563 3.577 . 0 0 "[ . 1 . ]" 1
360 2 22 ALA HA 2 23 GLU H 3.200 3.200 8.200 3.521 3.508 3.529 . 0 0 "[ . 1 . ]" 1
361 2 22 ALA MB 2 23 GLU H 0.000 . 4.000 2.735 2.678 2.778 . 0 0 "[ . 1 . ]" 1
362 2 23 GLU H 2 24 GLY H 0.000 . 2.700 2.771 2.735 2.783 0.083 11 0 "[ . 1 . ]" 1
363 2 24 GLY H 2 25 ASN H 0.000 . 3.200 2.115 2.092 2.150 . 0 0 "[ . 1 . ]" 1
364 2 23 GLU HA 2 24 GLY H 3.200 3.200 8.200 3.337 3.296 3.379 . 0 0 "[ . 1 . ]" 1
365 2 24 GLY HA3 2 25 ASN H 2.700 2.700 7.700 3.506 3.493 3.518 . 0 0 "[ . 1 . ]" 1
366 2 25 ASN H 2 26 LEU H 2.700 2.700 4.000 3.810 3.780 3.844 . 0 0 "[ . 1 . ]" 1
367 2 24 GLY HA2 2 25 ASN H 2.700 2.700 7.700 3.062 2.997 3.123 . 0 0 "[ . 1 . ]" 1
368 2 26 LEU H 2 27 GLU H 0.000 . 2.700 2.653 2.585 2.710 0.010 6 0 "[ . 1 . ]" 1
369 2 25 ASN HA 2 26 LEU H 0.000 . 2.700 2.309 2.284 2.343 . 0 0 "[ . 1 . ]" 1
370 2 25 ASN QB 2 26 LEU H 0.000 . 4.800 3.808 3.788 3.832 . 0 0 "[ . 1 . ]" 1
371 2 27 GLU H 2 28 ALA H 0.000 . 2.700 2.608 2.492 2.703 0.003 4 0 "[ . 1 . ]" 1
372 2 26 LEU HA 2 27 GLU H 2.700 2.700 7.700 3.479 3.423 3.505 . 0 0 "[ . 1 . ]" 1
373 2 28 ALA H 2 29 GLU H 3.200 3.200 8.200 4.517 4.460 4.592 . 0 0 "[ . 1 . ]" 1
374 2 27 GLU HA 2 28 ALA H 2.700 2.700 7.700 3.349 3.248 3.437 . 0 0 "[ . 1 . ]" 1
375 2 29 GLU HA 2 30 VAL MG2 0.000 . 4.800 3.644 3.554 3.748 . 0 0 "[ . 1 . ]" 1
376 2 29 GLU H 2 30 VAL H 4.000 4.000 9.000 4.473 4.430 4.517 . 0 0 "[ . 1 . ]" 1
377 2 28 ALA HA 2 29 GLU H 0.000 . 2.700 2.147 2.136 2.176 . 0 0 "[ . 1 . ]" 1
378 2 30 VAL MG1 2 31 PRO HD2 0.000 . 3.500 2.099 1.921 2.343 . 0 0 "[ . 1 . ]" 1
379 2 30 VAL MG1 2 31 PRO HD3 0.000 . 4.800 3.094 2.894 3.296 . 0 0 "[ . 1 . ]" 1
380 2 30 VAL HA 2 31 PRO HD3 0.000 . 2.700 2.134 2.066 2.233 . 0 0 "[ . 1 . ]" 1
381 2 30 VAL H 2 31 PRO HD3 3.200 3.200 8.200 4.760 4.692 4.859 . 0 0 "[ . 1 . ]" 1
382 2 30 VAL H 2 31 PRO HD2 3.200 3.200 8.200 5.285 5.194 5.350 . 0 0 "[ . 1 . ]" 1
383 2 29 GLU HA 2 30 VAL H 0.000 . 2.700 2.163 2.131 2.183 . 0 0 "[ . 1 . ]" 1
384 2 30 VAL HA 2 31 PRO HD2 0.000 . 2.700 2.643 2.538 2.713 0.013 11 0 "[ . 1 . ]" 1
385 2 31 PRO HG2 2 32 HIS HD2 0.000 . 3.200 2.331 2.217 2.412 . 0 0 "[ . 1 . ]" 1
386 2 31 PRO HG3 2 32 HIS HD2 0.000 . 4.000 3.946 3.770 4.013 0.013 3 0 "[ . 1 . ]" 1
387 2 31 PRO HB3 2 32 HIS H 0.000 . 4.000 3.552 3.508 3.603 . 0 0 "[ . 1 . ]" 1
388 2 32 HIS H 2 33 GLN H 0.000 . 3.200 2.704 2.668 2.741 . 0 0 "[ . 1 . ]" 1
389 2 31 PRO HB2 2 32 HIS H 0.000 . 3.200 2.573 2.525 2.663 . 0 0 "[ . 1 . ]" 1
390 2 31 PRO HA 2 32 HIS H 0.000 . 2.700 2.423 2.386 2.443 . 0 0 "[ . 1 . ]" 1
391 2 32 HIS HA 2 33 GLN H 0.000 . 3.200 2.996 2.912 3.072 . 0 0 "[ . 1 . ]" 1
392 2 33 GLN H 2 34 ASN H 0.000 . 2.700 2.593 2.550 2.671 . 0 0 "[ . 1 . ]" 1
393 2 33 GLN HA 2 34 ASN H 3.200 3.200 8.200 3.513 3.499 3.544 . 0 0 "[ . 1 . ]" 1
394 2 34 ASN H 2 35 ARG H 0.000 . 2.700 2.583 2.524 2.670 . 0 0 "[ . 1 . ]" 1
395 2 34 ASN HA 2 35 ARG H 2.700 2.700 7.700 3.438 3.381 3.477 . 0 0 "[ . 1 . ]" 1
396 2 34 ASN QB 2 35 ARG H 0.000 . 4.800 3.285 3.121 3.815 . 0 0 "[ . 1 . ]" 1
397 2 37 ASP H 2 38 GLU H 3.200 3.200 8.200 4.444 4.420 4.478 . 0 0 "[ . 1 . ]" 1
398 2 36 ALA MB 2 37 ASP H 0.000 . 4.000 3.009 2.911 3.161 . 0 0 "[ . 1 . ]" 1
399 2 36 ALA HA 2 37 ASP H 2.700 2.700 7.700 3.484 3.454 3.502 . 0 0 "[ . 1 . ]" 1
400 2 37 ASP HA 2 38 GLU H 2.700 2.700 7.700 2.768 2.743 2.795 . 0 0 "[ . 1 . ]" 1
401 2 38 GLU H 2 39 ILE H 0.000 . 3.200 2.829 2.778 2.911 . 0 0 "[ . 1 . ]" 1
402 2 39 ILE H 2 40 GLY H 0.000 . 3.200 2.440 2.425 2.457 . 0 0 "[ . 1 . ]" 1
403 2 38 GLU HG3 2 39 ILE H 3.500 3.500 8.500 5.044 4.867 5.268 . 0 0 "[ . 1 . ]" 1
404 2 38 GLU HG2 2 39 ILE H 3.500 3.500 8.500 4.387 4.347 4.429 . 0 0 "[ . 1 . ]" 1
405 2 38 GLU HA 2 39 ILE H 3.200 3.200 8.200 3.533 3.503 3.564 . 0 0 "[ . 1 . ]" 1
406 2 39 ILE HA 2 40 GLY H 3.200 3.200 8.200 3.530 3.523 3.542 . 0 0 "[ . 1 . ]" 1
407 2 39 ILE MG 2 40 GLY H 0.000 . 4.800 3.734 3.671 3.786 . 0 0 "[ . 1 . ]" 1
408 2 40 GLY H 2 41 ILE H 0.000 . 2.700 2.680 2.655 2.715 0.015 18 0 "[ . 1 . ]" 1
409 2 40 GLY HA3 2 41 ILE H 2.700 2.700 7.700 2.862 2.809 2.910 . 0 0 "[ . 1 . ]" 1
410 2 41 ILE H 2 42 LEU H 0.000 . 2.700 2.717 2.684 2.734 0.034 6 0 "[ . 1 . ]" 1
411 2 40 GLY HA2 2 41 ILE H 3.200 3.200 8.200 3.549 3.533 3.569 . 0 0 "[ . 1 . ]" 1
412 2 42 LEU H 2 43 ALA H 0.000 . 2.700 2.745 2.736 2.757 0.057 16 0 "[ . 1 . ]" 1
413 2 41 ILE HA 2 42 LEU H 3.200 3.200 8.200 3.568 3.546 3.580 . 0 0 "[ . 1 . ]" 1
414 2 41 ILE MG 2 42 LEU H 0.000 . 4.800 3.521 3.423 3.587 . 0 0 "[ . 1 . ]" 1
415 2 42 LEU HA 2 43 ALA H 3.200 3.200 8.200 3.553 3.544 3.563 . 0 0 "[ . 1 . ]" 1
416 2 43 ALA H 2 44 LYS H 0.000 . 2.700 2.750 2.732 2.763 0.063 11 0 "[ . 1 . ]" 1
417 2 44 LYS H 2 45 SER H 0.000 . 2.700 2.730 2.715 2.740 0.040 15 0 "[ . 1 . ]" 1
418 2 43 ALA HA 2 44 LYS H 3.200 3.200 8.200 3.544 3.534 3.552 . 0 0 "[ . 1 . ]" 1
419 2 45 SER H 2 46 ILE H 0.000 . 2.700 2.734 2.723 2.749 0.049 8 0 "[ . 1 . ]" 1
420 2 44 LYS HA 2 45 SER H 3.200 3.200 8.200 3.548 3.540 3.558 . 0 0 "[ . 1 . ]" 1
421 2 46 ILE H 2 47 GLU H 0.000 . 2.700 2.686 2.612 2.716 0.016 4 0 "[ . 1 . ]" 1
422 2 45 SER HA 2 46 ILE H 3.200 3.200 8.200 3.560 3.549 3.574 . 0 0 "[ . 1 . ]" 1
423 2 47 GLU H 2 48 ARG H 0.000 . 2.700 2.731 2.720 2.740 0.040 13 0 "[ . 1 . ]" 1
424 2 46 ILE HB 2 47 GLU H 0.000 . 3.200 2.703 2.585 2.823 . 0 0 "[ . 1 . ]" 1
425 2 46 ILE HA 2 47 GLU H 3.200 3.200 8.200 3.548 3.521 3.568 . 0 0 "[ . 1 . ]" 1
426 2 48 ARG H 2 49 LEU H 0.000 . 2.700 2.734 2.718 2.746 0.046 8 0 "[ . 1 . ]" 1
427 2 47 GLU HA 2 48 ARG H 3.200 3.200 8.200 3.553 3.543 3.563 . 0 0 "[ . 1 . ]" 1
428 2 47 GLU QB 2 48 ARG H 0.000 . 4.000 2.578 2.513 2.669 . 0 0 "[ . 1 . ]" 1
429 2 49 LEU H 2 50 ARG H 0.000 . 2.700 2.714 2.708 2.723 0.023 17 0 "[ . 1 . ]" 1
430 2 48 ARG HB3 2 49 LEU H 0.000 . 4.000 3.485 3.385 3.600 . 0 0 "[ . 1 . ]" 1
431 2 48 ARG HA 2 49 LEU H 3.200 3.200 8.200 3.549 3.540 3.563 . 0 0 "[ . 1 . ]" 1
432 2 48 ARG HB2 2 49 LEU H 0.000 . 4.000 2.635 2.518 2.755 . 0 0 "[ . 1 . ]" 1
433 2 50 ARG H 2 51 ARG H 0.000 . 2.700 2.740 2.722 2.758 0.058 6 0 "[ . 1 . ]" 1
434 2 49 LEU HA 2 50 ARG H 3.200 3.200 8.200 3.550 3.539 3.561 . 0 0 "[ . 1 . ]" 1
435 2 49 LEU QB 2 50 ARG H 0.000 . 4.000 2.587 2.511 2.636 . 0 0 "[ . 1 . ]" 1
436 2 51 ARG H 2 52 SER H 0.000 . 2.700 2.721 2.702 2.740 0.040 5 0 "[ . 1 . ]" 1
437 2 50 ARG HA 2 51 ARG H 3.200 3.200 8.200 3.542 3.533 3.555 . 0 0 "[ . 1 . ]" 1
438 2 50 ARG QB 2 51 ARG H 0.000 . 4.000 2.513 2.381 2.579 . 0 0 "[ . 1 . ]" 1
439 2 51 ARG QB 2 52 SER H 0.000 . 4.000 2.562 2.472 2.764 . 0 0 "[ . 1 . ]" 1
440 2 52 SER H 2 53 LEU H 0.000 . 2.700 2.723 2.705 2.743 0.043 8 0 "[ . 1 . ]" 1
441 2 51 ARG HA 2 52 SER H 3.200 3.200 8.200 3.551 3.531 3.569 . 0 0 "[ . 1 . ]" 1
442 2 53 LEU H 2 54 LYS H 0.000 . 2.700 2.706 2.692 2.734 0.034 12 0 "[ . 1 . ]" 1
443 2 52 SER HA 2 53 LEU H 3.200 3.200 8.200 3.542 3.532 3.555 . 0 0 "[ . 1 . ]" 1
444 2 54 LYS H 2 55 VAL H 0.000 . 2.700 2.716 2.701 2.743 0.043 13 0 "[ . 1 . ]" 1
445 2 53 LEU HA 2 54 LYS H 3.200 3.200 8.200 3.556 3.547 3.570 . 0 0 "[ . 1 . ]" 1
446 2 53 LEU QB 2 54 LYS H 0.000 . 4.000 2.540 2.442 2.610 . 0 0 "[ . 1 . ]" 1
447 2 54 LYS HA 2 55 VAL H 3.200 3.200 8.200 3.559 3.547 3.572 . 0 0 "[ . 1 . ]" 1
448 2 55 VAL H 2 56 ALA H 0.000 . 2.700 2.578 2.525 2.624 . 0 0 "[ . 1 . ]" 1
449 2 54 LYS QB 2 55 VAL H 0.000 . 4.000 2.467 2.378 2.630 . 0 0 "[ . 1 . ]" 1
450 2 56 ALA H 2 57 MET H 0.000 . 2.700 2.646 2.527 2.704 0.004 14 0 "[ . 1 . ]" 1
451 2 55 VAL HA 2 56 ALA H 3.200 3.200 8.200 3.524 3.517 3.533 . 0 0 "[ . 1 . ]" 1
452 2 55 VAL HB 2 56 ALA H 0.000 . 3.200 2.797 2.748 2.948 . 0 0 "[ . 1 . ]" 1
453 2 56 ALA MB 2 57 MET HG2 0.000 . 4.000 3.320 3.136 3.350 . 0 0 "[ . 1 . ]" 1
454 2 56 ALA MB 2 57 MET H 0.000 . 3.200 2.647 2.597 2.676 . 0 0 "[ . 1 . ]" 1
455 2 56 ALA HA 2 57 MET H 3.200 3.200 8.200 3.525 3.513 3.539 . 0 0 "[ . 1 . ]" 1
456 2 57 MET H 2 58 GLU H 0.000 . 2.700 2.414 2.260 2.711 0.011 11 0 "[ . 1 . ]" 1
457 2 56 ALA MB 2 57 MET HG3 0.000 . 4.000 3.006 2.869 3.223 . 0 0 "[ . 1 . ]" 1
458 2 57 MET HA 2 58 GLU H 3.200 3.200 8.200 3.433 3.170 3.534 0.030 8 0 "[ . 1 . ]" 1
459 1 7 ILE HA 1 10 PRO QD 0.000 . 4.000 2.929 2.754 3.122 . 0 0 "[ . 1 . ]" 1
460 1 9 ARG HA 1 12 ILE HB 0.000 . 3.200 3.176 2.814 3.242 0.042 18 0 "[ . 1 . ]" 1
461 1 10 PRO HA 1 13 GLU HB2 0.000 . 2.700 2.358 2.135 2.475 . 0 0 "[ . 1 . ]" 1
462 1 10 PRO HA 1 13 GLU HB3 0.000 . 4.000 3.918 3.695 4.023 0.023 14 0 "[ . 1 . ]" 1
463 1 10 PRO HA 1 13 GLU H 0.000 . 3.600 3.324 3.090 3.499 . 0 0 "[ . 1 . ]" 1
464 1 11 ILE H 1 13 GLU H 3.200 3.200 5.000 3.957 3.869 4.068 . 0 0 "[ . 1 . ]" 1
465 1 8 THR HA 1 11 ILE H 0.000 . 4.500 3.970 3.712 4.447 . 0 0 "[ . 1 . ]" 1
466 1 12 ILE HA 1 15 SER HG 0.000 . 4.000 2.575 2.025 3.235 . 0 0 "[ . 1 . ]" 1
467 1 9 ARG HA 1 12 ILE H 0.000 . 4.000 3.609 3.383 3.828 . 0 0 "[ . 1 . ]" 1
468 1 13 GLU H 1 15 SER H 3.200 3.200 5.000 4.204 4.117 4.352 . 0 0 "[ . 1 . ]" 1
469 1 10 PRO HA 1 14 LEU H 0.000 . 4.500 3.954 3.768 4.134 . 0 0 "[ . 1 . ]" 1
470 1 11 ILE HA 1 14 LEU H 0.000 . 3.600 3.544 3.452 3.606 0.006 8 0 "[ . 1 . ]" 1
471 1 11 ILE HA 1 14 LEU HB2 0.000 . 3.200 2.891 2.589 3.136 . 0 0 "[ . 1 . ]" 1
472 1 14 LEU H 1 16 ASN H 3.200 3.200 5.000 4.224 4.124 4.315 . 0 0 "[ . 1 . ]" 1
473 1 11 ILE HA 1 14 LEU MD1 0.000 . 4.000 2.631 2.362 3.048 . 0 0 "[ . 1 . ]" 1
474 1 11 ILE MG 1 14 LEU H 0.000 . 5.800 4.810 4.721 4.845 . 0 0 "[ . 1 . ]" 1
475 1 12 ILE HA 1 15 SER H 0.000 . 4.000 3.604 3.512 3.736 . 0 0 "[ . 1 . ]" 1
476 1 11 ILE HA 1 15 SER H 0.000 . 5.000 4.125 3.958 4.263 . 0 0 "[ . 1 . ]" 1
477 1 15 SER HA 1 18 ALA MB 0.000 . 4.000 2.825 2.692 3.105 . 0 0 "[ . 1 . ]" 1
478 1 16 ASN H 1 18 ALA H 3.200 3.200 5.000 4.225 4.157 4.332 . 0 0 "[ . 1 . ]" 1
479 1 12 ILE MG 1 16 ASN HD21 0.000 . 4.000 2.321 1.967 2.923 . 0 0 "[ . 1 . ]" 1
480 1 12 ILE MG 1 16 ASN HB2 0.000 . 4.800 3.923 3.811 4.024 . 0 0 "[ . 1 . ]" 1
481 1 13 GLU HA 1 16 ASN H 0.000 . 3.600 3.648 3.616 3.678 0.078 14 0 "[ . 1 . ]" 1
482 1 12 ILE MG 1 16 ASN HB3 0.000 . 5.800 4.869 4.841 4.902 . 0 0 "[ . 1 . ]" 1
483 1 13 GLU HA 1 16 ASN HD21 0.000 . 4.000 3.241 2.901 3.790 . 0 0 "[ . 1 . ]" 1
484 1 12 ILE HA 1 16 ASN H 0.000 . 4.500 4.040 3.985 4.176 . 0 0 "[ . 1 . ]" 1
485 1 12 ILE MG 1 16 ASN HD22 0.000 . 3.200 2.245 1.977 2.625 . 0 0 "[ . 1 . ]" 1
486 1 17 THR HA 1 20 LYS QD 0.000 . 4.000 2.696 2.440 2.901 . 0 0 "[ . 1 . ]" 1
487 1 14 LEU HA 1 17 THR HB 0.000 . 3.200 3.123 2.967 3.215 0.015 7 0 "[ . 1 . ]" 1
488 1 14 LEU HA 1 17 THR H 0.000 . 3.600 3.628 3.583 3.670 0.070 12 0 "[ . 1 . ]" 1
489 1 17 THR MG 1 21 ILE MD 0.000 . 4.800 2.532 2.249 2.735 . 0 0 "[ . 1 . ]" 1
490 1 17 THR HA 1 20 LYS QG 0.000 . 4.800 3.210 2.984 3.621 . 0 0 "[ . 1 . ]" 1
491 1 17 THR H 1 19 ASP H 3.200 3.200 5.000 4.234 4.112 4.314 . 0 0 "[ . 1 . ]" 1
492 1 17 THR H 1 20 LYS QD 0.000 . 5.800 5.063 4.861 5.176 . 0 0 "[ . 1 . ]" 1
493 1 13 GLU HA 1 17 THR H 0.000 . 4.500 4.142 4.069 4.226 . 0 0 "[ . 1 . ]" 1
494 1 17 THR HA 1 20 LYS HB2 0.000 . 3.500 2.728 2.608 2.911 . 0 0 "[ . 1 . ]" 1
495 1 17 THR H 1 20 LYS QG 0.000 . 5.800 4.880 4.725 5.041 . 0 0 "[ . 1 . ]" 1
496 1 15 SER HA 1 18 ALA H 0.000 . 3.600 3.627 3.589 3.649 0.049 15 0 "[ . 1 . ]" 1
497 1 18 ALA H 1 20 LYS H 3.200 3.200 5.000 4.190 4.133 4.255 . 0 0 "[ . 1 . ]" 1
498 1 14 LEU HA 1 18 ALA H 0.000 . 4.500 4.183 4.085 4.292 . 0 0 "[ . 1 . ]" 1
499 1 16 ASN HA 1 19 ASP H 0.000 . 3.600 3.602 3.454 3.654 0.054 14 0 "[ . 1 . ]" 1
500 1 15 SER HA 1 19 ASP H 0.000 . 4.500 4.296 4.223 4.387 . 0 0 "[ . 1 . ]" 1
501 1 17 THR HA 1 20 LYS H 0.000 . 3.600 3.451 3.313 3.612 0.012 17 0 "[ . 1 . ]" 1
502 1 20 LYS H 1 22 ALA H 3.200 3.200 5.000 4.349 4.229 4.416 . 0 0 "[ . 1 . ]" 1
503 1 16 ASN HA 1 20 LYS H 0.000 . 4.500 4.387 4.219 4.489 . 0 0 "[ . 1 . ]" 1
504 1 17 THR MG 1 21 ILE H 0.000 . 5.300 4.198 4.055 4.333 . 0 0 "[ . 1 . ]" 1
505 1 17 THR HA 1 21 ILE H 0.000 . 4.500 4.399 4.306 4.506 0.006 12 0 "[ . 1 . ]" 1
506 1 21 ILE H 1 23 GLU H 3.200 3.200 5.000 4.241 4.184 4.352 . 0 0 "[ . 1 . ]" 1
507 1 18 ALA HA 1 21 ILE HB 0.000 . 3.000 3.012 2.899 3.035 0.035 17 0 "[ . 1 . ]" 1
508 1 18 ALA HA 1 21 ILE H 0.000 . 3.600 3.485 3.396 3.563 . 0 0 "[ . 1 . ]" 1
509 1 19 ASP HA 1 22 ALA H 0.000 . 3.600 3.558 3.426 3.616 0.016 18 0 "[ . 1 . ]" 1
510 1 18 ALA HA 1 22 ALA H 0.000 . 4.500 4.267 4.199 4.367 . 0 0 "[ . 1 . ]" 1
511 1 22 ALA H 1 24 GLY H 3.200 3.200 5.000 4.283 4.257 4.320 . 0 0 "[ . 1 . ]" 1
512 1 23 GLU H 1 25 ASN H 3.200 3.200 5.000 3.797 3.732 3.871 . 0 0 "[ . 1 . ]" 1
513 1 20 LYS HA 1 23 GLU H 0.000 . 4.000 3.881 3.790 4.022 0.022 18 0 "[ . 1 . ]" 1
514 1 24 GLY HA2 1 26 LEU MD2 0.000 . 4.000 3.020 2.861 3.181 . 0 0 "[ . 1 . ]" 1
515 1 24 GLY H 1 26 LEU MD2 0.000 . 4.800 4.030 4.018 4.043 . 0 0 "[ . 1 . ]" 1
516 1 21 ILE HA 1 24 GLY H 0.000 . 4.000 3.977 3.930 4.026 0.026 15 0 "[ . 1 . ]" 1
517 1 21 ILE HA 1 25 ASN H 0.000 . 3.200 2.871 2.775 3.009 . 0 0 "[ . 1 . ]" 1
518 1 24 GLY HA2 1 26 LEU H 0.000 . 4.500 4.349 4.317 4.428 . 0 0 "[ . 1 . ]" 1
519 1 24 GLY HA2 1 26 LEU HG 0.000 . 4.000 3.781 3.587 3.967 . 0 0 "[ . 1 . ]" 1
520 1 25 ASN HB3 1 27 GLU H 0.000 . 4.500 3.905 3.742 4.167 . 0 0 "[ . 1 . ]" 1
521 1 25 ASN HA 1 27 GLU H 0.000 . 4.000 3.473 3.346 3.585 . 0 0 "[ . 1 . ]" 1
522 1 26 LEU HA 1 28 ALA H 0.000 . 4.000 3.828 3.710 3.913 . 0 0 "[ . 1 . ]" 1
523 1 25 ASN HB3 1 28 ALA H 0.000 . 4.000 3.542 3.301 3.703 . 0 0 "[ . 1 . ]" 1
524 1 25 ASN HB3 1 28 ALA MB 0.000 . 4.000 2.862 2.598 3.253 . 0 0 "[ . 1 . ]" 1
525 1 28 ALA MB 1 30 VAL MG2 0.000 . 5.600 3.892 3.807 3.923 . 0 0 "[ . 1 . ]" 1
526 1 30 VAL H 1 33 GLN HE22 0.000 . 4.000 3.583 3.310 3.767 . 0 0 "[ . 1 . ]" 1
527 1 30 VAL H 1 33 GLN HE21 0.000 . 3.200 3.085 2.895 3.210 0.010 16 0 "[ . 1 . ]" 1
528 1 30 VAL MG2 1 33 GLN HE21 0.000 . 4.800 4.008 3.956 4.029 . 0 0 "[ . 1 . ]" 1
529 1 32 HIS HB3 1 35 ARG HB2 0.000 . 3.200 3.104 2.934 3.215 0.015 14 0 "[ . 1 . ]" 1
530 1 29 GLU HA 1 33 GLN HE22 0.000 . 5.000 4.537 4.228 4.812 . 0 0 "[ . 1 . ]" 1
531 1 31 PRO HA 1 33 GLN H 0.000 . 4.000 3.425 3.373 3.596 . 0 0 "[ . 1 . ]" 1
532 1 30 VAL HB 1 33 GLN HE22 2.700 2.700 4.000 3.554 3.250 3.919 . 0 0 "[ . 1 . ]" 1
533 1 30 VAL HB 1 33 GLN HE21 2.700 2.700 4.000 2.749 2.676 2.907 0.024 16 0 "[ . 1 . ]" 1
534 1 32 HIS HA 1 34 ASN H 0.000 . 4.000 3.390 3.328 3.496 . 0 0 "[ . 1 . ]" 1
535 1 35 ARG HD2 1 39 ILE MG 0.000 . 4.800 3.758 3.583 3.915 . 0 0 "[ . 1 . ]" 1
536 1 32 HIS HA 1 35 ARG HD2 0.000 . 4.000 3.720 3.564 3.919 . 0 0 "[ . 1 . ]" 1
537 1 35 ARG HD3 1 39 ILE HB 0.000 . 4.000 2.819 2.681 2.902 . 0 0 "[ . 1 . ]" 1
538 1 33 GLN HA 1 35 ARG H 0.000 . 4.000 4.017 3.975 4.036 0.036 1 0 "[ . 1 . ]" 1
539 1 35 ARG HE 1 39 ILE MG 0.000 . 4.800 3.898 3.770 3.967 . 0 0 "[ . 1 . ]" 1
540 1 35 ARG HD3 1 39 ILE MG 0.000 . 3.600 2.876 2.624 3.012 . 0 0 "[ . 1 . ]" 1
541 1 32 HIS HA 1 35 ARG HD3 0.000 . 4.000 3.703 3.502 3.854 . 0 0 "[ . 1 . ]" 1
542 1 35 ARG HD2 1 39 ILE HB 0.000 . 4.000 3.968 3.825 4.028 0.028 12 0 "[ . 1 . ]" 1
543 1 35 ARG HB3 1 37 ASP H 0.000 . 3.000 2.815 2.732 2.914 . 0 0 "[ . 1 . ]" 1
544 1 35 ARG HA 1 37 ASP H 0.000 . 4.500 3.869 3.790 3.937 . 0 0 "[ . 1 . ]" 1
545 1 39 ILE HA 1 42 LEU HB2 0.000 . 4.000 3.597 3.418 3.803 . 0 0 "[ . 1 . ]" 1
546 1 35 ARG HE 1 39 ILE HB 2.700 2.700 4.000 2.640 2.624 2.659 0.076 4 0 "[ . 1 . ]" 1
547 1 37 ASP HB2 1 39 ILE H 0.000 . 4.000 3.674 3.590 3.793 . 0 0 "[ . 1 . ]" 1
548 1 35 ARG QD 1 39 ILE H 0.000 . 5.800 4.928 4.825 4.990 . 0 0 "[ . 1 . ]" 1
549 1 39 ILE HA 1 42 LEU HB3 0.000 . 3.200 2.960 2.825 3.074 . 0 0 "[ . 1 . ]" 1
550 1 35 ARG QB 1 39 ILE H 0.000 . 4.800 4.301 4.257 4.324 . 0 0 "[ . 1 . ]" 1
551 1 38 GLU HA 1 41 ILE HB 0.000 . 3.200 3.053 2.887 3.160 . 0 0 "[ . 1 . ]" 1
552 1 38 GLU HA 1 41 ILE H 0.000 . 3.600 3.507 3.401 3.611 0.011 13 0 "[ . 1 . ]" 1
553 1 41 ILE H 1 43 ALA H 3.200 3.200 5.000 4.163 4.074 4.231 . 0 0 "[ . 1 . ]" 1
554 1 39 ILE HA 1 42 LEU H 0.000 . 3.600 3.473 3.362 3.604 0.004 6 0 "[ . 1 . ]" 1
555 1 42 LEU H 1 44 LYS H 3.200 3.200 5.000 4.236 4.132 4.387 . 0 0 "[ . 1 . ]" 1
556 1 38 GLU HA 1 42 LEU H 0.000 . 4.500 4.361 4.259 4.486 . 0 0 "[ . 1 . ]" 1
557 1 39 ILE MG 1 43 ALA H 0.000 . 4.800 3.996 3.911 4.051 . 0 0 "[ . 1 . ]" 1
558 1 40 GLY HA2 1 43 ALA H 0.000 . 4.000 3.495 3.400 3.570 . 0 0 "[ . 1 . ]" 1
559 1 43 ALA HA 1 46 ILE HB 0.000 . 3.200 3.171 3.060 3.212 0.012 12 0 "[ . 1 . ]" 1
560 1 43 ALA H 1 45 SER H 3.200 3.200 5.000 4.250 4.197 4.370 . 0 0 "[ . 1 . ]" 1
561 1 39 ILE HA 1 43 ALA H 0.000 . 4.500 4.224 4.117 4.335 . 0 0 "[ . 1 . ]" 1
562 1 40 GLY HA2 1 43 ALA MB 0.000 . 4.000 2.637 2.526 2.770 . 0 0 "[ . 1 . ]" 1
563 1 41 ILE HA 1 44 LYS QD 0.000 . 4.000 2.634 2.015 3.412 . 0 0 "[ . 1 . ]" 1
564 1 41 ILE HA 1 44 LYS H 0.000 . 4.000 3.485 3.379 3.654 . 0 0 "[ . 1 . ]" 1
565 1 40 GLY HA2 1 44 LYS H 0.000 . 4.500 4.246 4.161 4.310 . 0 0 "[ . 1 . ]" 1
566 1 41 ILE HA 1 44 LYS HB2 0.000 . 3.200 2.783 2.573 3.099 . 0 0 "[ . 1 . ]" 1
567 1 41 ILE HA 1 44 LYS QE 0.000 . 4.800 3.855 3.353 4.118 . 0 0 "[ . 1 . ]" 1
568 1 40 GLY HA3 1 44 LYS QE 0.000 . 4.800 3.910 3.277 4.288 . 0 0 "[ . 1 . ]" 1
569 1 42 LEU HA 1 45 SER H 0.000 . 3.600 3.510 3.416 3.584 . 0 0 "[ . 1 . ]" 1
570 1 46 ILE H 1 48 ARG H 3.200 3.200 5.000 4.180 4.082 4.291 . 0 0 "[ . 1 . ]" 1
571 1 43 ALA HA 1 46 ILE H 0.000 . 3.600 3.601 3.540 3.628 0.028 13 0 "[ . 1 . ]" 1
572 1 44 LYS HA 1 47 GLU H 0.000 . 3.600 3.477 3.316 3.604 0.004 14 0 "[ . 1 . ]" 1
573 1 43 ALA HA 1 47 GLU H 0.000 . 4.500 4.451 4.356 4.508 0.008 4 0 "[ . 1 . ]" 1
574 1 44 LYS HA 1 48 ARG H 0.000 . 4.500 4.334 4.245 4.474 . 0 0 "[ . 1 . ]" 1
575 1 45 SER HA 1 48 ARG HB2 0.000 . 3.200 2.736 2.548 2.971 . 0 0 "[ . 1 . ]" 1
576 1 45 SER HA 1 48 ARG QD 0.000 . 3.600 2.549 2.090 2.956 . 0 0 "[ . 1 . ]" 1
577 1 48 ARG H 1 50 ARG H 3.200 3.200 5.000 4.184 4.109 4.250 . 0 0 "[ . 1 . ]" 1
578 1 45 SER HA 1 48 ARG QG 0.000 . 4.800 3.425 2.904 3.894 . 0 0 "[ . 1 . ]" 1
579 1 45 SER HA 1 48 ARG H 0.000 . 3.600 3.410 3.295 3.532 . 0 0 "[ . 1 . ]" 1
580 1 46 ILE HA 1 49 LEU H 0.000 . 3.600 3.458 3.329 3.569 . 0 0 "[ . 1 . ]" 1
581 1 49 LEU H 1 51 ARG H 3.200 3.200 5.000 4.198 4.038 4.306 . 0 0 "[ . 1 . ]" 1
582 1 46 ILE HA 1 49 LEU QB 0.000 . 3.200 2.836 2.731 2.991 . 0 0 "[ . 1 . ]" 1
583 1 46 ILE HA 1 49 LEU QD 0.000 . 4.800 2.229 2.000 2.607 . 0 0 "[ . 1 . ]" 1
584 1 45 SER HA 1 49 LEU H 0.000 . 4.500 4.371 4.277 4.474 . 0 0 "[ . 1 . ]" 1
585 1 47 GLU HA 1 50 ARG HB3 0.000 . 3.200 2.989 2.902 3.140 . 0 0 "[ . 1 . ]" 1
586 1 50 ARG H 1 52 SER H 3.200 3.200 5.000 4.292 4.156 4.529 . 0 0 "[ . 1 . ]" 1
587 1 47 GLU HA 1 50 ARG H 0.000 . 3.600 3.415 3.298 3.554 . 0 0 "[ . 1 . ]" 1
588 1 46 ILE HA 1 50 ARG H 0.000 . 4.500 4.328 4.132 4.411 . 0 0 "[ . 1 . ]" 1
589 1 46 ILE MG 1 50 ARG H 0.000 . 5.300 4.127 3.901 4.234 . 0 0 "[ . 1 . ]" 1
590 1 50 ARG HA 1 53 LEU MD1 0.000 . 4.200 2.404 1.998 2.930 . 0 0 "[ . 1 . ]" 1
591 1 47 GLU HA 1 50 ARG HB2 0.000 . 4.000 3.121 2.929 3.292 . 0 0 "[ . 1 . ]" 1
592 1 48 ARG HA 1 51 ARG H 0.000 . 3.600 3.499 3.335 3.608 0.008 7 0 "[ . 1 . ]" 1
593 1 47 GLU HA 1 51 ARG H 0.000 . 4.500 4.351 4.201 4.443 . 0 0 "[ . 1 . ]" 1
594 1 51 ARG H 1 53 LEU H 3.200 3.200 5.000 4.216 4.046 4.364 . 0 0 "[ . 1 . ]" 1
595 1 52 SER HA 1 55 VAL HB 0.000 . 3.200 2.790 2.498 2.952 . 0 0 "[ . 1 . ]" 1
596 1 48 ARG HA 1 52 SER H 0.000 . 4.500 4.405 4.259 4.499 . 0 0 "[ . 1 . ]" 1
597 1 52 SER H 1 54 LYS H 3.200 3.200 5.000 4.351 4.261 4.445 . 0 0 "[ . 1 . ]" 1
598 1 52 SER HA 1 55 VAL MG2 0.000 . 4.000 3.063 2.704 3.234 . 0 0 "[ . 1 . ]" 1
599 1 49 LEU HA 1 52 SER H 0.000 . 3.600 3.445 3.342 3.558 . 0 0 "[ . 1 . ]" 1
600 1 50 ARG HA 1 53 LEU HB2 0.000 . 3.200 2.942 2.689 3.213 0.013 13 0 "[ . 1 . ]" 1
601 1 53 LEU MD2 1 57 MET QG 0.000 . 5.600 3.937 3.533 4.149 . 0 0 "[ . 1 . ]" 1
602 1 53 LEU HA 1 56 ALA MB 0.000 . 4.000 2.627 2.479 2.835 . 0 0 "[ . 1 . ]" 1
603 1 53 LEU QD 1 56 ALA MB 0.000 . 5.500 3.309 3.145 3.401 . 0 0 "[ . 1 . ]" 1
604 1 49 LEU HA 1 53 LEU H 0.000 . 4.500 4.346 4.146 4.430 . 0 0 "[ . 1 . ]" 1
605 1 50 ARG HA 1 53 LEU H 0.000 . 4.000 3.639 3.433 3.810 . 0 0 "[ . 1 . ]" 1
606 1 51 ARG HA 1 54 LYS H 0.000 . 3.600 3.586 3.514 3.629 0.029 14 0 "[ . 1 . ]" 1
607 1 54 LYS H 1 56 ALA H 3.200 3.200 5.000 4.057 3.998 4.172 . 0 0 "[ . 1 . ]" 1
608 1 51 ARG HA 1 54 LYS QB 0.000 . 4.000 2.927 2.778 3.145 . 0 0 "[ . 1 . ]" 1
609 1 55 VAL H 1 57 MET H 3.200 3.200 5.000 4.116 4.048 4.205 . 0 0 "[ . 1 . ]" 1
610 1 55 VAL HA 1 58 GLU QB 0.000 . 4.000 2.551 2.090 3.464 . 0 0 "[ . 1 . ]" 1
611 1 52 SER HA 1 55 VAL H 0.000 . 3.600 3.543 3.354 3.613 0.013 3 0 "[ . 1 . ]" 1
612 1 56 ALA H 1 58 GLU H 3.200 3.200 5.000 4.024 3.867 4.194 . 0 0 "[ . 1 . ]" 1
613 1 53 LEU HA 1 56 ALA H 0.000 . 3.600 3.442 3.324 3.556 . 0 0 "[ . 1 . ]" 1
614 1 52 SER HA 1 56 ALA H 0.000 . 4.500 4.059 3.820 4.238 . 0 0 "[ . 1 . ]" 1
615 1 53 LEU HA 1 57 MET H 0.000 . 4.500 4.390 4.237 4.518 0.018 18 0 "[ . 1 . ]" 1
616 1 53 LEU HA 1 57 MET ME 0.000 . 4.800 3.901 3.651 4.004 . 0 0 "[ . 1 . ]" 1
617 1 54 LYS HA 1 57 MET HB2 0.000 . 4.000 3.277 3.150 3.482 . 0 0 "[ . 1 . ]" 1
618 1 54 LYS HA 1 57 MET HG3 0.000 . 4.000 3.789 3.519 3.968 . 0 0 "[ . 1 . ]" 1
619 1 54 LYS HA 1 57 MET H 0.000 . 3.600 3.605 3.562 3.649 0.049 1 0 "[ . 1 . ]" 1
620 1 55 VAL HA 1 58 GLU H 0.000 . 3.600 3.373 3.197 3.618 0.018 2 0 "[ . 1 . ]" 1
621 1 55 VAL HA 1 58 GLU HG3 0.000 . 4.000 3.274 2.031 3.736 . 0 0 "[ . 1 . ]" 1
622 1 55 VAL HA 1 58 GLU HG2 0.000 . 4.000 3.907 3.488 4.022 0.022 16 0 "[ . 1 . ]" 1
623 2 7 ILE HA 2 10 PRO QD 0.000 . 4.000 2.975 2.804 3.235 . 0 0 "[ . 1 . ]" 1
624 2 9 ARG HA 2 12 ILE HB 0.000 . 3.200 3.168 2.823 3.232 0.032 14 0 "[ . 1 . ]" 1
625 2 10 PRO HA 2 13 GLU HB2 0.000 . 2.700 2.360 2.169 2.528 . 0 0 "[ . 1 . ]" 1
626 2 10 PRO HA 2 13 GLU HB3 0.000 . 4.000 3.913 3.633 4.017 0.017 3 0 "[ . 1 . ]" 1
627 2 10 PRO HA 2 13 GLU H 0.000 . 3.600 3.333 3.187 3.503 . 0 0 "[ . 1 . ]" 1
628 2 11 ILE H 2 13 GLU H 3.200 3.200 5.000 3.943 3.828 4.021 . 0 0 "[ . 1 . ]" 1
629 2 8 THR HA 2 11 ILE H 0.000 . 4.500 3.890 3.547 4.234 . 0 0 "[ . 1 . ]" 1
630 2 12 ILE HA 2 15 SER HG 0.000 . 4.000 2.613 2.026 3.327 . 0 0 "[ . 1 . ]" 1
631 2 9 ARG HA 2 12 ILE H 0.000 . 4.000 3.595 3.367 3.878 . 0 0 "[ . 1 . ]" 1
632 2 13 GLU H 2 15 SER H 3.200 3.200 5.000 4.166 4.108 4.245 . 0 0 "[ . 1 . ]" 1
633 2 10 PRO HA 2 14 LEU H 0.000 . 4.500 3.964 3.735 4.098 . 0 0 "[ . 1 . ]" 1
634 2 11 ILE HA 2 14 LEU H 0.000 . 3.600 3.543 3.397 3.603 0.003 15 0 "[ . 1 . ]" 1
635 2 11 ILE HA 2 14 LEU HB2 0.000 . 3.200 2.919 2.747 3.137 . 0 0 "[ . 1 . ]" 1
636 2 14 LEU H 2 16 ASN H 3.200 3.200 5.000 4.242 4.163 4.284 . 0 0 "[ . 1 . ]" 1
637 2 11 ILE HA 2 14 LEU MD1 0.000 . 4.000 2.702 2.239 3.066 . 0 0 "[ . 1 . ]" 1
638 2 11 ILE MG 2 14 LEU H 0.000 . 5.800 4.818 4.748 4.862 . 0 0 "[ . 1 . ]" 1
639 2 12 ILE HA 2 15 SER H 0.000 . 4.000 3.619 3.546 3.687 . 0 0 "[ . 1 . ]" 1
640 2 11 ILE HA 2 15 SER H 0.000 . 5.000 4.102 3.878 4.264 . 0 0 "[ . 1 . ]" 1
641 2 15 SER HA 2 18 ALA MB 0.000 . 4.000 2.782 2.638 2.897 . 0 0 "[ . 1 . ]" 1
642 2 16 ASN H 2 18 ALA H 3.200 3.200 5.000 4.222 4.157 4.295 . 0 0 "[ . 1 . ]" 1
643 2 12 ILE MG 2 16 ASN HD21 0.000 . 4.000 2.265 1.984 2.927 . 0 0 "[ . 1 . ]" 1
644 2 12 ILE MG 2 16 ASN HB2 0.000 . 4.800 3.937 3.820 4.028 . 0 0 "[ . 1 . ]" 1
645 2 13 GLU HA 2 16 ASN H 0.000 . 3.600 3.657 3.639 3.686 0.086 15 0 "[ . 1 . ]" 1
646 2 12 ILE MG 2 16 ASN HB3 0.000 . 5.800 4.864 4.816 4.882 . 0 0 "[ . 1 . ]" 1
647 2 13 GLU HA 2 16 ASN HD21 0.000 . 4.000 3.183 2.740 3.894 . 0 0 "[ . 1 . ]" 1
648 2 12 ILE HA 2 16 ASN H 0.000 . 4.500 4.021 3.938 4.087 . 0 0 "[ . 1 . ]" 1
649 2 12 ILE MG 2 16 ASN HD22 0.000 . 3.200 2.169 1.908 2.453 . 0 0 "[ . 1 . ]" 1
650 2 17 THR HA 2 20 LYS QD 0.000 . 4.000 2.686 2.361 2.834 . 0 0 "[ . 1 . ]" 1
651 2 14 LEU HA 2 17 THR HB 0.000 . 3.200 3.121 2.876 3.217 0.017 16 0 "[ . 1 . ]" 1
652 2 14 LEU HA 2 17 THR H 0.000 . 3.600 3.630 3.529 3.658 0.058 15 0 "[ . 1 . ]" 1
653 2 17 THR MG 2 21 ILE MD 0.000 . 4.800 2.542 2.296 2.769 . 0 0 "[ . 1 . ]" 1
654 2 17 THR HA 2 20 LYS QG 0.000 . 4.800 3.195 2.925 3.374 . 0 0 "[ . 1 . ]" 1
655 2 17 THR H 2 19 ASP H 3.200 3.200 5.000 4.206 4.116 4.267 . 0 0 "[ . 1 . ]" 1
656 2 17 THR H 2 20 LYS QD 0.000 . 5.800 5.060 4.801 5.172 . 0 0 "[ . 1 . ]" 1
657 2 13 GLU HA 2 17 THR H 0.000 . 4.500 4.164 4.077 4.257 . 0 0 "[ . 1 . ]" 1
658 2 17 THR HA 2 20 LYS HB2 0.000 . 3.500 2.757 2.608 2.963 . 0 0 "[ . 1 . ]" 1
659 2 17 THR H 2 20 LYS QG 0.000 . 5.800 4.904 4.730 5.080 . 0 0 "[ . 1 . ]" 1
660 2 15 SER HA 2 18 ALA H 0.000 . 3.600 3.612 3.574 3.627 0.027 13 0 "[ . 1 . ]" 1
661 2 18 ALA H 2 20 LYS H 3.200 3.200 5.000 4.233 4.178 4.293 . 0 0 "[ . 1 . ]" 1
662 2 14 LEU HA 2 18 ALA H 0.000 . 4.500 4.151 4.044 4.235 . 0 0 "[ . 1 . ]" 1
663 2 16 ASN HA 2 19 ASP H 0.000 . 3.600 3.604 3.563 3.628 0.028 13 0 "[ . 1 . ]" 1
664 2 15 SER HA 2 19 ASP H 0.000 . 4.500 4.296 4.218 4.393 . 0 0 "[ . 1 . ]" 1
665 2 17 THR HA 2 20 LYS H 0.000 . 3.600 3.436 3.349 3.551 . 0 0 "[ . 1 . ]" 1
666 2 20 LYS H 2 22 ALA H 3.200 3.200 5.000 4.380 4.331 4.426 . 0 0 "[ . 1 . ]" 1
667 2 16 ASN HA 2 20 LYS H 0.000 . 4.500 4.416 4.334 4.504 0.004 6 0 "[ . 1 . ]" 1
668 2 17 THR MG 2 21 ILE H 0.000 . 5.300 4.217 4.063 4.356 . 0 0 "[ . 1 . ]" 1
669 2 17 THR HA 2 21 ILE H 0.000 . 4.500 4.406 4.312 4.512 0.012 7 0 "[ . 1 . ]" 1
670 2 21 ILE H 2 23 GLU H 3.200 3.200 5.000 4.218 4.111 4.272 . 0 0 "[ . 1 . ]" 1
671 2 18 ALA HA 2 21 ILE HB 0.000 . 3.000 3.005 2.894 3.032 0.032 7 0 "[ . 1 . ]" 1
672 2 18 ALA HA 2 21 ILE H 0.000 . 3.600 3.493 3.443 3.569 . 0 0 "[ . 1 . ]" 1
673 2 19 ASP HA 2 22 ALA H 0.000 . 3.600 3.568 3.487 3.621 0.021 13 0 "[ . 1 . ]" 1
674 2 18 ALA HA 2 22 ALA H 0.000 . 4.500 4.257 4.152 4.420 . 0 0 "[ . 1 . ]" 1
675 2 22 ALA H 2 24 GLY H 3.200 3.200 5.000 4.294 4.243 4.356 . 0 0 "[ . 1 . ]" 1
676 2 23 GLU H 2 25 ASN H 3.200 3.200 5.000 3.795 3.744 3.848 . 0 0 "[ . 1 . ]" 1
677 2 20 LYS HA 2 23 GLU H 0.000 . 4.000 3.896 3.758 3.990 . 0 0 "[ . 1 . ]" 1
678 2 24 GLY HA2 2 26 LEU MD2 0.000 . 4.000 3.070 2.834 3.302 . 0 0 "[ . 1 . ]" 1
679 2 24 GLY H 2 26 LEU MD2 0.000 . 4.800 4.026 4.001 4.043 . 0 0 "[ . 1 . ]" 1
680 2 21 ILE HA 2 24 GLY H 0.000 . 4.000 3.978 3.903 4.018 0.018 7 0 "[ . 1 . ]" 1
681 2 21 ILE HA 2 25 ASN H 0.000 . 3.200 2.890 2.809 2.969 . 0 0 "[ . 1 . ]" 1
682 2 24 GLY HA2 2 26 LEU H 0.000 . 4.500 4.354 4.301 4.400 . 0 0 "[ . 1 . ]" 1
683 2 24 GLY HA2 2 26 LEU HG 0.000 . 4.000 3.803 3.549 3.953 . 0 0 "[ . 1 . ]" 1
684 2 25 ASN HB3 2 27 GLU H 0.000 . 4.500 3.826 3.596 4.094 . 0 0 "[ . 1 . ]" 1
685 2 25 ASN HA 2 27 GLU H 0.000 . 4.000 3.433 3.293 3.588 . 0 0 "[ . 1 . ]" 1
686 2 26 LEU HA 2 28 ALA H 0.000 . 4.000 3.761 3.628 3.868 . 0 0 "[ . 1 . ]" 1
687 2 25 ASN HB3 2 28 ALA H 0.000 . 4.000 3.482 3.219 3.720 . 0 0 "[ . 1 . ]" 1
688 2 25 ASN HB3 2 28 ALA MB 0.000 . 4.000 2.879 2.580 3.217 . 0 0 "[ . 1 . ]" 1
689 2 28 ALA MB 2 30 VAL MG2 0.000 . 5.600 3.872 3.680 3.909 . 0 0 "[ . 1 . ]" 1
690 2 30 VAL H 2 33 GLN HE22 0.000 . 4.000 3.657 3.498 3.849 . 0 0 "[ . 1 . ]" 1
691 2 30 VAL H 2 33 GLN HE21 0.000 . 3.200 3.113 2.979 3.214 0.014 13 0 "[ . 1 . ]" 1
692 2 30 VAL MG2 2 33 GLN HE21 0.000 . 4.800 4.008 3.989 4.023 . 0 0 "[ . 1 . ]" 1
693 2 32 HIS HB3 2 35 ARG HB2 0.000 . 3.200 3.076 2.901 3.201 0.001 18 0 "[ . 1 . ]" 1
694 2 29 GLU HA 2 33 GLN HE22 0.000 . 5.000 4.565 4.284 4.854 . 0 0 "[ . 1 . ]" 1
695 2 31 PRO HA 2 33 GLN H 0.000 . 4.000 3.437 3.335 3.588 . 0 0 "[ . 1 . ]" 1
696 2 30 VAL HB 2 33 GLN HE22 2.700 2.700 4.000 3.637 3.397 3.985 . 0 0 "[ . 1 . ]" 1
697 2 30 VAL HB 2 33 GLN HE21 2.700 2.700 4.000 2.777 2.689 2.934 0.011 8 0 "[ . 1 . ]" 1
698 2 32 HIS HA 2 34 ASN H 0.000 . 4.000 3.498 3.285 3.799 . 0 0 "[ . 1 . ]" 1
699 2 35 ARG HD2 2 39 ILE MG 0.000 . 4.800 3.705 3.539 3.874 . 0 0 "[ . 1 . ]" 1
700 2 32 HIS HA 2 35 ARG HD2 0.000 . 4.000 3.626 3.429 3.785 . 0 0 "[ . 1 . ]" 1
701 2 35 ARG HD3 2 39 ILE HB 0.000 . 4.000 2.829 2.667 2.937 . 0 0 "[ . 1 . ]" 1
702 2 33 GLN HA 2 35 ARG H 0.000 . 4.000 4.020 3.996 4.040 0.040 12 0 "[ . 1 . ]" 1
703 2 35 ARG HE 2 39 ILE MG 0.000 . 4.800 3.871 3.789 3.962 . 0 0 "[ . 1 . ]" 1
704 2 35 ARG HD3 2 39 ILE MG 0.000 . 3.600 2.823 2.475 2.998 . 0 0 "[ . 1 . ]" 1
705 2 32 HIS HA 2 35 ARG HD3 0.000 . 4.000 3.604 3.323 3.867 . 0 0 "[ . 1 . ]" 1
706 2 35 ARG HD2 2 39 ILE HB 0.000 . 4.000 3.983 3.830 4.027 0.027 11 0 "[ . 1 . ]" 1
707 2 35 ARG HB3 2 37 ASP H 0.000 . 3.000 2.843 2.721 2.954 . 0 0 "[ . 1 . ]" 1
708 2 35 ARG HA 2 37 ASP H 0.000 . 4.500 3.906 3.828 4.023 . 0 0 "[ . 1 . ]" 1
709 2 39 ILE HA 2 42 LEU HB2 0.000 . 4.000 3.592 3.429 3.835 . 0 0 "[ . 1 . ]" 1
710 2 35 ARG HE 2 39 ILE HB 2.700 2.700 4.000 2.646 2.627 2.664 0.073 5 0 "[ . 1 . ]" 1
711 2 37 ASP HB2 2 39 ILE H 0.000 . 4.000 3.646 3.462 3.816 . 0 0 "[ . 1 . ]" 1
712 2 35 ARG QD 2 39 ILE H 0.000 . 5.800 4.935 4.836 5.004 . 0 0 "[ . 1 . ]" 1
713 2 39 ILE HA 2 42 LEU HB3 0.000 . 3.200 2.973 2.814 3.201 0.001 13 0 "[ . 1 . ]" 1
714 2 35 ARG QB 2 39 ILE H 0.000 . 4.800 4.303 4.267 4.326 . 0 0 "[ . 1 . ]" 1
715 2 38 GLU HA 2 41 ILE HB 0.000 . 3.200 3.043 2.855 3.184 . 0 0 "[ . 1 . ]" 1
716 2 38 GLU HA 2 41 ILE H 0.000 . 3.600 3.494 3.391 3.601 0.001 11 0 "[ . 1 . ]" 1
717 2 41 ILE H 2 43 ALA H 3.200 3.200 5.000 4.167 4.053 4.320 . 0 0 "[ . 1 . ]" 1
718 2 39 ILE HA 2 42 LEU H 0.000 . 3.600 3.490 3.362 3.585 . 0 0 "[ . 1 . ]" 1
719 2 42 LEU H 2 44 LYS H 3.200 3.200 5.000 4.225 4.108 4.333 . 0 0 "[ . 1 . ]" 1
720 2 38 GLU HA 2 42 LEU H 0.000 . 4.500 4.334 4.188 4.434 . 0 0 "[ . 1 . ]" 1
721 2 39 ILE MG 2 43 ALA H 0.000 . 4.800 3.985 3.899 4.036 . 0 0 "[ . 1 . ]" 1
722 2 40 GLY HA2 2 43 ALA H 0.000 . 4.000 3.504 3.365 3.661 . 0 0 "[ . 1 . ]" 1
723 2 43 ALA HA 2 46 ILE HB 0.000 . 3.200 3.131 2.966 3.205 0.005 3 0 "[ . 1 . ]" 1
724 2 43 ALA H 2 45 SER H 3.200 3.200 5.000 4.279 4.179 4.377 . 0 0 "[ . 1 . ]" 1
725 2 39 ILE HA 2 43 ALA H 0.000 . 4.500 4.213 4.107 4.340 . 0 0 "[ . 1 . ]" 1
726 2 40 GLY HA2 2 43 ALA MB 0.000 . 4.000 2.612 2.349 2.772 . 0 0 "[ . 1 . ]" 1
727 2 41 ILE HA 2 44 LYS QD 0.000 . 4.000 2.566 2.063 3.196 . 0 0 "[ . 1 . ]" 1
728 2 41 ILE HA 2 44 LYS H 0.000 . 4.000 3.483 3.323 3.631 . 0 0 "[ . 1 . ]" 1
729 2 40 GLY HA2 2 44 LYS H 0.000 . 4.500 4.227 4.095 4.308 . 0 0 "[ . 1 . ]" 1
730 2 41 ILE HA 2 44 LYS HB2 0.000 . 3.200 2.764 2.514 2.967 . 0 0 "[ . 1 . ]" 1
731 2 41 ILE HA 2 44 LYS QE 0.000 . 4.800 3.685 2.965 4.181 . 0 0 "[ . 1 . ]" 1
732 2 40 GLY HA3 2 44 LYS QE 0.000 . 4.800 3.737 2.845 4.264 . 0 0 "[ . 1 . ]" 1
733 2 42 LEU HA 2 45 SER H 0.000 . 3.600 3.549 3.459 3.620 0.020 14 0 "[ . 1 . ]" 1
734 2 46 ILE H 2 48 ARG H 3.200 3.200 5.000 4.220 4.126 4.303 . 0 0 "[ . 1 . ]" 1
735 2 43 ALA HA 2 46 ILE H 0.000 . 3.600 3.591 3.485 3.645 0.045 11 0 "[ . 1 . ]" 1
736 2 44 LYS HA 2 47 GLU H 0.000 . 3.600 3.489 3.410 3.590 . 0 0 "[ . 1 . ]" 1
737 2 43 ALA HA 2 47 GLU H 0.000 . 4.500 4.445 4.331 4.514 0.014 6 0 "[ . 1 . ]" 1
738 2 44 LYS HA 2 48 ARG H 0.000 . 4.500 4.361 4.257 4.471 . 0 0 "[ . 1 . ]" 1
739 2 45 SER HA 2 48 ARG HB2 0.000 . 3.200 2.800 2.515 2.997 . 0 0 "[ . 1 . ]" 1
740 2 45 SER HA 2 48 ARG QD 0.000 . 3.600 2.820 2.029 3.200 . 0 0 "[ . 1 . ]" 1
741 2 48 ARG H 2 50 ARG H 3.200 3.200 5.000 4.157 4.108 4.205 . 0 0 "[ . 1 . ]" 1
742 2 45 SER HA 2 48 ARG QG 0.000 . 4.800 3.378 2.824 3.835 . 0 0 "[ . 1 . ]" 1
743 2 45 SER HA 2 48 ARG H 0.000 . 3.600 3.432 3.352 3.568 . 0 0 "[ . 1 . ]" 1
744 2 46 ILE HA 2 49 LEU H 0.000 . 3.600 3.497 3.286 3.603 0.003 3 0 "[ . 1 . ]" 1
745 2 49 LEU H 2 51 ARG H 3.200 3.200 5.000 4.221 4.107 4.364 . 0 0 "[ . 1 . ]" 1
746 2 46 ILE HA 2 49 LEU QB 0.000 . 3.200 2.860 2.687 3.039 . 0 0 "[ . 1 . ]" 1
747 2 46 ILE HA 2 49 LEU QD 0.000 . 4.800 2.201 1.983 2.574 . 0 0 "[ . 1 . ]" 1
748 2 45 SER HA 2 49 LEU H 0.000 . 4.500 4.360 4.159 4.464 . 0 0 "[ . 1 . ]" 1
749 2 47 GLU HA 2 50 ARG HB3 0.000 . 3.200 2.990 2.859 3.129 . 0 0 "[ . 1 . ]" 1
750 2 50 ARG H 2 52 SER H 3.200 3.200 5.000 4.243 4.071 4.350 . 0 0 "[ . 1 . ]" 1
751 2 47 GLU HA 2 50 ARG H 0.000 . 3.600 3.414 3.334 3.534 . 0 0 "[ . 1 . ]" 1
752 2 46 ILE HA 2 50 ARG H 0.000 . 4.500 4.335 4.255 4.428 . 0 0 "[ . 1 . ]" 1
753 2 46 ILE MG 2 50 ARG H 0.000 . 5.300 4.130 3.985 4.271 . 0 0 "[ . 1 . ]" 1
754 2 50 ARG HA 2 53 LEU MD1 0.000 . 4.200 2.373 2.041 2.678 . 0 0 "[ . 1 . ]" 1
755 2 47 GLU HA 2 50 ARG HB2 0.000 . 4.000 3.075 2.932 3.207 . 0 0 "[ . 1 . ]" 1
756 2 48 ARG HA 2 51 ARG H 0.000 . 3.600 3.462 3.337 3.579 . 0 0 "[ . 1 . ]" 1
757 2 47 GLU HA 2 51 ARG H 0.000 . 4.500 4.369 4.263 4.476 . 0 0 "[ . 1 . ]" 1
758 2 51 ARG H 2 53 LEU H 3.200 3.200 5.000 4.237 4.152 4.405 . 0 0 "[ . 1 . ]" 1
759 2 52 SER HA 2 55 VAL HB 0.000 . 3.200 2.889 2.637 3.066 . 0 0 "[ . 1 . ]" 1
760 2 48 ARG HA 2 52 SER H 0.000 . 4.500 4.451 4.297 4.512 0.012 6 0 "[ . 1 . ]" 1
761 2 52 SER H 2 54 LYS H 3.200 3.200 5.000 4.268 4.171 4.395 . 0 0 "[ . 1 . ]" 1
762 2 52 SER HA 2 55 VAL MG2 0.000 . 4.000 3.245 3.132 3.353 . 0 0 "[ . 1 . ]" 1
763 2 49 LEU HA 2 52 SER H 0.000 . 3.600 3.416 3.291 3.558 . 0 0 "[ . 1 . ]" 1
764 2 50 ARG HA 2 53 LEU HB2 0.000 . 3.200 2.901 2.640 3.121 . 0 0 "[ . 1 . ]" 1
765 2 53 LEU MD2 2 57 MET QG 0.000 . 5.600 4.006 3.679 4.160 . 0 0 "[ . 1 . ]" 1
766 2 53 LEU HA 2 56 ALA MB 0.000 . 4.000 2.578 2.372 2.713 . 0 0 "[ . 1 . ]" 1
767 2 53 LEU QD 2 56 ALA MB 0.000 . 5.500 3.309 3.054 3.405 . 0 0 "[ . 1 . ]" 1
768 2 49 LEU HA 2 53 LEU H 0.000 . 4.500 4.355 4.219 4.453 . 0 0 "[ . 1 . ]" 1
769 2 50 ARG HA 2 53 LEU H 0.000 . 4.000 3.553 3.420 3.673 . 0 0 "[ . 1 . ]" 1
770 2 51 ARG HA 2 54 LYS H 0.000 . 3.600 3.558 3.393 3.632 0.032 2 0 "[ . 1 . ]" 1
771 2 54 LYS H 2 56 ALA H 3.200 3.200 5.000 3.971 3.892 4.028 . 0 0 "[ . 1 . ]" 1
772 2 51 ARG HA 2 54 LYS QB 0.000 . 4.000 2.903 2.617 3.182 . 0 0 "[ . 1 . ]" 1
773 2 55 VAL H 2 57 MET H 3.200 3.200 5.000 4.153 4.067 4.213 . 0 0 "[ . 1 . ]" 1
774 2 55 VAL HA 2 58 GLU QB 0.000 . 4.000 2.471 2.016 3.425 . 0 0 "[ . 1 . ]" 1
775 2 52 SER HA 2 55 VAL H 0.000 . 3.600 3.590 3.511 3.625 0.025 6 0 "[ . 1 . ]" 1
776 2 56 ALA H 2 58 GLU H 3.200 3.200 5.000 4.032 3.884 4.191 . 0 0 "[ . 1 . ]" 1
777 2 53 LEU HA 2 56 ALA H 0.000 . 3.600 3.500 3.332 3.613 0.013 13 0 "[ . 1 . ]" 1
778 2 52 SER HA 2 56 ALA H 0.000 . 4.500 3.984 3.872 4.092 . 0 0 "[ . 1 . ]" 1
779 2 53 LEU HA 2 57 MET H 0.000 . 4.500 4.376 4.190 4.522 0.022 17 0 "[ . 1 . ]" 1
780 2 53 LEU HA 2 57 MET ME 0.000 . 4.800 3.926 3.748 3.995 . 0 0 "[ . 1 . ]" 1
781 2 54 LYS HA 2 57 MET HB2 0.000 . 4.000 3.273 3.110 3.391 . 0 0 "[ . 1 . ]" 1
782 2 54 LYS HA 2 57 MET HG3 0.000 . 4.000 3.901 3.689 4.027 0.027 5 0 "[ . 1 . ]" 1
783 2 54 LYS HA 2 57 MET H 0.000 . 3.600 3.578 3.432 3.642 0.042 2 0 "[ . 1 . ]" 1
784 2 55 VAL HA 2 58 GLU H 0.000 . 3.600 3.343 3.193 3.623 0.023 11 0 "[ . 1 . ]" 1
785 2 55 VAL HA 2 58 GLU HG3 0.000 . 4.000 3.321 2.227 3.998 . 0 0 "[ . 1 . ]" 1
786 2 55 VAL HA 2 58 GLU HG2 0.000 . 4.000 3.777 2.066 4.013 0.013 4 0 "[ . 1 . ]" 1
787 1 10 PRO HB3 1 39 ILE MG 0.000 . 4.800 3.055 2.764 3.571 . 0 0 "[ . 1 . ]" 1
788 1 10 PRO HB2 1 39 ILE MG 0.000 . 3.500 2.182 2.003 2.445 . 0 0 "[ . 1 . ]" 1
789 1 10 PRO HA 1 32 HIS HD2 0.000 . 4.000 3.905 3.575 4.027 0.027 14 0 "[ . 1 . ]" 1
790 1 14 LEU HA 1 32 HIS HD2 0.000 . 4.000 4.003 3.919 4.038 0.038 14 0 "[ . 1 . ]" 1
791 1 14 LEU MD1 1 32 HIS HD2 0.000 . 4.000 2.976 2.723 3.282 . 0 0 "[ . 1 . ]" 1
792 1 14 LEU MD2 1 32 HIS HD2 0.000 . 4.800 2.584 2.240 3.178 . 0 0 "[ . 1 . ]" 1
793 1 14 LEU H 1 32 HIS HD2 0.000 . 4.000 3.950 3.816 4.027 0.027 16 0 "[ . 1 . ]" 1
794 1 14 LEU HG 1 32 HIS HD2 0.000 . 2.700 2.129 2.033 2.268 . 0 0 "[ . 1 . ]" 1
795 1 17 THR MG 1 31 PRO QG 0.000 . 4.800 3.545 3.437 3.576 . 0 0 "[ . 1 . ]" 1
796 1 17 THR MG 1 30 VAL MG2 0.000 . 4.800 2.405 2.221 2.806 . 0 0 "[ . 1 . ]" 1
797 1 20 LYS HA 1 25 ASN H 0.000 . 5.000 4.930 4.852 5.006 0.006 16 0 "[ . 1 . ]" 1
798 1 20 LYS O 1 25 ASN N 3.100 3.000 3.200 3.199 3.123 3.244 0.044 13 0 "[ . 1 . ]" 1
799 1 17 THR MG 1 28 ALA MB 0.000 . 4.800 2.714 2.431 2.903 . 0 0 "[ . 1 . ]" 1
800 1 28 ALA H 1 50 ARG HD2 0.000 . 4.000 3.375 2.976 3.798 . 0 0 "[ . 1 . ]" 1
801 1 20 LYS HD2 1 28 ALA MB 0.000 . 4.000 3.339 3.319 3.354 . 0 0 "[ . 1 . ]" 1
802 1 21 ILE QG 1 28 ALA MB 0.000 . 4.000 2.157 1.900 2.495 . 0 0 "[ . 1 . ]" 1
803 1 17 THR MG 1 30 VAL HA 0.000 . 3.500 1.957 1.892 2.059 . 0 0 "[ . 1 . ]" 1
804 1 17 THR MG 1 31 PRO HD3 0.000 . 4.000 2.013 1.971 2.191 . 0 0 "[ . 1 . ]" 1
805 1 14 LEU H 1 31 PRO HG2 0.000 . 4.500 4.311 4.172 4.461 . 0 0 "[ . 1 . ]" 1
806 1 32 HIS HB2 1 39 ILE MG 0.000 . 4.800 3.338 3.162 3.518 . 0 0 "[ . 1 . ]" 1
807 1 13 GLU HB2 1 32 HIS HD2 0.000 . 4.000 3.516 3.097 3.861 . 0 0 "[ . 1 . ]" 1
808 1 32 HIS HB3 1 39 ILE MG 0.000 . 4.000 2.996 2.625 3.238 . 0 0 "[ . 1 . ]" 1
809 1 13 GLU HB3 1 32 HIS HD2 0.000 . 4.000 3.731 3.457 3.997 . 0 0 "[ . 1 . ]" 1
810 1 32 HIS HB2 1 43 ALA MB 0.000 . 4.000 2.238 2.020 2.503 . 0 0 "[ . 1 . ]" 1
811 1 33 GLN H 1 43 ALA MB 0.000 . 4.800 3.530 3.295 3.727 . 0 0 "[ . 1 . ]" 1
812 1 35 ARG H 1 40 GLY HA3 0.000 . 4.000 3.782 3.489 3.976 . 0 0 "[ . 1 . ]" 1
813 1 35 ARG HD3 1 40 GLY H 0.000 . 4.000 3.822 3.678 3.967 . 0 0 "[ . 1 . ]" 1
814 1 35 ARG HB3 1 40 GLY HA2 0.000 . 4.000 3.137 2.959 3.385 . 0 0 "[ . 1 . ]" 1
815 1 35 ARG HB2 1 40 GLY HA2 0.000 . 3.200 2.111 2.018 2.351 . 0 0 "[ . 1 . ]" 1
816 1 35 ARG H 1 40 GLY HA2 0.000 . 4.000 3.537 3.387 3.758 . 0 0 "[ . 1 . ]" 1
817 1 35 ARG HB3 1 40 GLY HA3 0.000 . 4.000 2.462 2.273 2.673 . 0 0 "[ . 1 . ]" 1
818 1 35 ARG HB2 1 40 GLY HA3 0.000 . 3.200 2.399 2.274 2.549 . 0 0 "[ . 1 . ]" 1
819 1 11 ILE QG 1 39 ILE MD 0.000 . 4.800 3.468 3.310 3.573 . 0 0 "[ . 1 . ]" 1
820 1 32 HIS HD2 1 39 ILE MG 0.000 . 4.800 3.893 3.692 4.009 . 0 0 "[ . 1 . ]" 1
821 1 14 LEU MD1 1 39 ILE MG 0.000 . 4.800 2.023 1.871 2.262 . 0 0 "[ . 1 . ]" 1
822 1 35 ARG HE 1 40 GLY H 0.000 . 4.000 3.564 3.486 3.672 . 0 0 "[ . 1 . ]" 1
823 1 35 ARG QB 1 40 GLY H 0.000 . 4.000 2.535 2.458 2.633 . 0 0 "[ . 1 . ]" 1
824 1 32 HIS HB3 1 43 ALA MB 0.000 . 4.800 3.248 3.040 3.531 . 0 0 "[ . 1 . ]" 1
825 1 14 LEU MD2 1 43 ALA MB 0.000 . 4.800 2.214 1.969 2.532 . 0 0 "[ . 1 . ]" 1
826 1 18 ALA H 1 46 ILE MD 0.000 . 5.800 3.848 3.694 4.114 . 0 0 "[ . 1 . ]" 1
827 1 30 VAL MG2 1 46 ILE H 0.000 . 5.800 4.858 4.817 4.880 . 0 0 "[ . 1 . ]" 1
828 1 17 THR MG 1 46 ILE MG 0.000 . 5.600 3.333 2.982 3.735 . 0 0 "[ . 1 . ]" 1
829 1 14 LEU MD2 1 46 ILE H 0.000 . 5.800 4.731 4.553 4.832 . 0 0 "[ . 1 . ]" 1
830 1 18 ALA MB 1 46 ILE MD 0.000 . 4.000 2.704 2.453 2.779 . 0 0 "[ . 1 . ]" 1
831 1 18 ALA H 1 46 ILE MG 0.000 . 4.800 3.694 3.507 3.862 . 0 0 "[ . 1 . ]" 1
832 1 18 ALA MB 1 46 ILE MG 0.000 . 5.100 2.507 2.272 2.750 . 0 0 "[ . 1 . ]" 1
833 1 17 THR HB 1 46 ILE MG 0.000 . 4.800 3.548 3.235 3.821 . 0 0 "[ . 1 . ]" 1
834 1 30 VAL MG1 1 46 ILE H 0.000 . 5.800 3.928 3.810 4.168 . 0 0 "[ . 1 . ]" 1
835 1 30 VAL MG1 1 47 GLU H 0.000 . 4.800 3.023 2.740 3.463 . 0 0 "[ . 1 . ]" 1
836 1 30 VAL MG2 1 47 GLU H 0.000 . 4.800 3.181 3.082 3.362 . 0 0 "[ . 1 . ]" 1
837 1 33 GLN HE22 1 47 GLU HG2 0.000 . 5.000 3.702 3.237 3.987 . 0 0 "[ . 1 . ]" 1
838 1 33 GLN HE22 1 47 GLU HG3 0.000 . 5.000 4.885 4.585 5.016 0.016 5 0 "[ . 1 . ]" 1
839 1 21 ILE MD 1 50 ARG HD2 0.000 . 4.800 3.693 3.452 3.931 . 0 0 "[ . 1 . ]" 1
840 1 30 VAL MG2 1 50 ARG HB3 0.000 . 4.800 3.771 3.556 3.998 . 0 0 "[ . 1 . ]" 1
841 1 30 VAL MG2 1 50 ARG HE 0.000 . 4.000 2.708 2.481 3.165 . 0 0 "[ . 1 . ]" 1
842 1 30 VAL MG2 1 50 ARG HD3 0.000 . 4.800 2.685 2.232 2.917 . 0 0 "[ . 1 . ]" 1
843 1 30 VAL MG2 1 50 ARG HB2 0.000 . 4.000 3.235 2.973 3.352 . 0 0 "[ . 1 . ]" 1
844 1 21 ILE HG12 1 50 ARG HD3 0.000 . 4.000 2.887 2.647 3.206 . 0 0 "[ . 1 . ]" 1
845 1 27 GLU HA 1 50 ARG HD2 0.000 . 5.000 4.112 3.734 4.886 . 0 0 "[ . 1 . ]" 1
846 1 30 VAL MG2 1 50 ARG H 0.000 . 5.300 4.348 4.214 4.436 . 0 0 "[ . 1 . ]" 1
847 1 21 ILE MG 1 50 ARG H 0.000 . 4.800 3.974 3.787 4.038 . 0 0 "[ . 1 . ]" 1
848 1 21 ILE MD 1 50 ARG HB2 0.000 . 4.000 2.438 2.117 2.663 . 0 0 "[ . 1 . ]" 1
849 1 21 ILE MD 1 50 ARG H 0.000 . 4.800 3.892 3.751 4.000 . 0 0 "[ . 1 . ]" 1
850 1 21 ILE MG 1 53 LEU MD1 0.000 . 4.800 2.192 1.932 2.644 . 0 0 "[ . 1 . ]" 1
851 1 26 LEU MD1 1 57 MET ME 0.000 . 4.800 2.805 2.197 3.320 . 0 0 "[ . 1 . ]" 1
852 2 10 PRO HB3 2 39 ILE MG 0.000 . 4.800 3.008 2.577 3.287 . 0 0 "[ . 1 . ]" 1
853 2 10 PRO HB2 2 39 ILE MG 0.000 . 3.500 2.159 1.956 2.347 . 0 0 "[ . 1 . ]" 1
854 2 10 PRO HA 2 32 HIS HD2 0.000 . 4.000 3.935 3.698 4.024 0.024 8 0 "[ . 1 . ]" 1
855 2 14 LEU HA 2 32 HIS HD2 0.000 . 4.000 3.998 3.828 4.033 0.033 7 0 "[ . 1 . ]" 1
856 2 14 LEU MD1 2 32 HIS HD2 0.000 . 4.000 2.944 2.668 3.306 . 0 0 "[ . 1 . ]" 1
857 2 14 LEU MD2 2 32 HIS HD2 0.000 . 4.800 2.600 2.114 3.058 . 0 0 "[ . 1 . ]" 1
858 2 14 LEU H 2 32 HIS HD2 0.000 . 4.000 3.916 3.789 4.023 0.023 7 0 "[ . 1 . ]" 1
859 2 14 LEU HG 2 32 HIS HD2 0.000 . 2.700 2.097 2.028 2.330 . 0 0 "[ . 1 . ]" 1
860 2 17 THR MG 2 31 PRO QG 0.000 . 4.800 3.559 3.468 3.585 . 0 0 "[ . 1 . ]" 1
861 2 17 THR MG 2 30 VAL MG2 0.000 . 4.800 2.383 2.075 2.760 . 0 0 "[ . 1 . ]" 1
862 2 20 LYS HA 2 25 ASN H 0.000 . 5.000 4.941 4.870 5.003 0.003 6 0 "[ . 1 . ]" 1
863 2 20 LYS O 2 25 ASN N 3.100 3.000 3.200 3.217 3.152 3.259 0.059 18 0 "[ . 1 . ]" 1
864 2 17 THR MG 2 28 ALA MB 0.000 . 4.800 2.699 2.486 2.842 . 0 0 "[ . 1 . ]" 1
865 2 28 ALA H 2 50 ARG HD2 0.000 . 4.000 3.369 2.928 3.736 . 0 0 "[ . 1 . ]" 1
866 2 20 LYS HD2 2 28 ALA MB 0.000 . 4.000 3.326 3.225 3.351 . 0 0 "[ . 1 . ]" 1
867 2 21 ILE QG 2 28 ALA MB 0.000 . 4.000 2.068 1.892 2.279 . 0 0 "[ . 1 . ]" 1
868 2 17 THR MG 2 30 VAL HA 0.000 . 3.500 1.951 1.848 2.074 . 0 0 "[ . 1 . ]" 1
869 2 17 THR MG 2 31 PRO HD3 0.000 . 4.000 2.015 1.982 2.179 . 0 0 "[ . 1 . ]" 1
870 2 14 LEU H 2 31 PRO HG2 0.000 . 4.500 4.356 4.073 4.509 0.009 17 0 "[ . 1 . ]" 1
871 2 32 HIS HB2 2 39 ILE MG 0.000 . 4.800 3.337 2.935 3.581 . 0 0 "[ . 1 . ]" 1
872 2 13 GLU HB2 2 32 HIS HD2 0.000 . 4.000 3.505 2.946 3.818 . 0 0 "[ . 1 . ]" 1
873 2 32 HIS HB3 2 39 ILE MG 0.000 . 4.000 2.913 2.316 3.273 . 0 0 "[ . 1 . ]" 1
874 2 13 GLU HB3 2 32 HIS HD2 0.000 . 4.000 3.658 3.298 4.006 0.006 18 0 "[ . 1 . ]" 1
875 2 32 HIS HB2 2 43 ALA MB 0.000 . 4.000 2.172 2.036 2.359 . 0 0 "[ . 1 . ]" 1
876 2 33 GLN H 2 43 ALA MB 0.000 . 4.800 3.554 3.340 3.776 . 0 0 "[ . 1 . ]" 1
877 2 35 ARG H 2 40 GLY HA3 0.000 . 4.000 3.741 3.514 3.975 . 0 0 "[ . 1 . ]" 1
878 2 35 ARG HD3 2 40 GLY H 0.000 . 4.000 3.820 3.716 3.982 . 0 0 "[ . 1 . ]" 1
879 2 35 ARG HB3 2 40 GLY HA2 0.000 . 4.000 3.119 2.973 3.379 . 0 0 "[ . 1 . ]" 1
880 2 35 ARG HB2 2 40 GLY HA2 0.000 . 3.200 2.078 2.019 2.155 . 0 0 "[ . 1 . ]" 1
881 2 35 ARG H 2 40 GLY HA2 0.000 . 4.000 3.501 3.328 3.637 . 0 0 "[ . 1 . ]" 1
882 2 35 ARG HB3 2 40 GLY HA3 0.000 . 4.000 2.453 2.253 2.734 . 0 0 "[ . 1 . ]" 1
883 2 35 ARG HB2 2 40 GLY HA3 0.000 . 3.200 2.372 2.244 2.548 . 0 0 "[ . 1 . ]" 1
884 2 11 ILE QG 2 39 ILE MD 0.000 . 4.800 3.461 3.154 3.575 . 0 0 "[ . 1 . ]" 1
885 2 32 HIS HD2 2 39 ILE MG 0.000 . 4.800 3.845 3.487 4.002 . 0 0 "[ . 1 . ]" 1
886 2 14 LEU MD1 2 39 ILE MG 0.000 . 4.800 2.006 1.871 2.135 . 0 0 "[ . 1 . ]" 1
887 2 35 ARG HE 2 40 GLY H 0.000 . 4.000 3.554 3.443 3.694 . 0 0 "[ . 1 . ]" 1
888 2 35 ARG QB 2 40 GLY H 0.000 . 4.000 2.534 2.450 2.624 . 0 0 "[ . 1 . ]" 1
889 2 32 HIS HB3 2 43 ALA MB 0.000 . 4.800 3.154 3.006 3.374 . 0 0 "[ . 1 . ]" 1
890 2 14 LEU MD2 2 43 ALA MB 0.000 . 4.800 2.165 1.990 2.353 . 0 0 "[ . 1 . ]" 1
891 2 18 ALA H 2 46 ILE MD 0.000 . 5.800 3.892 3.648 4.111 . 0 0 "[ . 1 . ]" 1
892 2 30 VAL MG2 2 46 ILE H 0.000 . 5.800 4.851 4.797 4.881 . 0 0 "[ . 1 . ]" 1
893 2 17 THR MG 2 46 ILE MG 0.000 . 5.600 3.403 2.917 3.744 . 0 0 "[ . 1 . ]" 1
894 2 14 LEU MD2 2 46 ILE H 0.000 . 5.800 4.741 4.618 4.841 . 0 0 "[ . 1 . ]" 1
895 2 18 ALA MB 2 46 ILE MD 0.000 . 4.000 2.701 2.409 2.789 . 0 0 "[ . 1 . ]" 1
896 2 18 ALA H 2 46 ILE MG 0.000 . 4.800 3.753 3.518 3.934 . 0 0 "[ . 1 . ]" 1
897 2 18 ALA MB 2 46 ILE MG 0.000 . 5.100 2.555 2.130 2.849 . 0 0 "[ . 1 . ]" 1
898 2 17 THR HB 2 46 ILE MG 0.000 . 4.800 3.589 3.366 3.791 . 0 0 "[ . 1 . ]" 1
899 2 30 VAL MG1 2 46 ILE H 0.000 . 5.800 3.983 3.885 4.118 . 0 0 "[ . 1 . ]" 1
900 2 30 VAL MG1 2 47 GLU H 0.000 . 4.800 3.119 2.777 3.425 . 0 0 "[ . 1 . ]" 1
901 2 30 VAL MG2 2 47 GLU H 0.000 . 4.800 3.241 3.069 3.368 . 0 0 "[ . 1 . ]" 1
902 2 33 GLN HE22 2 47 GLU HG2 0.000 . 5.000 3.723 3.433 3.958 . 0 0 "[ . 1 . ]" 1
903 2 33 GLN HE22 2 47 GLU HG3 0.000 . 5.000 4.838 4.514 5.018 0.018 10 0 "[ . 1 . ]" 1
904 2 21 ILE MD 2 50 ARG HD2 0.000 . 4.800 3.679 3.314 3.999 . 0 0 "[ . 1 . ]" 1
905 2 30 VAL MG2 2 50 ARG HB3 0.000 . 4.800 3.776 3.598 3.973 . 0 0 "[ . 1 . ]" 1
906 2 30 VAL MG2 2 50 ARG HE 0.000 . 4.000 2.632 2.376 2.934 . 0 0 "[ . 1 . ]" 1
907 2 30 VAL MG2 2 50 ARG HD3 0.000 . 4.800 2.604 2.422 2.749 . 0 0 "[ . 1 . ]" 1
908 2 30 VAL MG2 2 50 ARG HB2 0.000 . 4.000 3.190 2.966 3.305 . 0 0 "[ . 1 . ]" 1
909 2 21 ILE HG12 2 50 ARG HD3 0.000 . 4.000 2.922 2.676 3.158 . 0 0 "[ . 1 . ]" 1
910 2 27 GLU HA 2 50 ARG HD2 0.000 . 5.000 4.113 3.622 4.741 . 0 0 "[ . 1 . ]" 1
911 2 30 VAL MG2 2 50 ARG H 0.000 . 5.300 4.349 4.138 4.440 . 0 0 "[ . 1 . ]" 1
912 2 21 ILE MG 2 50 ARG H 0.000 . 4.800 3.989 3.876 4.035 . 0 0 "[ . 1 . ]" 1
913 2 21 ILE MD 2 50 ARG HB2 0.000 . 4.000 2.476 2.212 2.945 . 0 0 "[ . 1 . ]" 1
914 2 21 ILE MD 2 50 ARG H 0.000 . 4.800 3.927 3.803 4.012 . 0 0 "[ . 1 . ]" 1
915 2 21 ILE MG 2 53 LEU MD1 0.000 . 4.800 2.036 1.835 2.222 . 0 0 "[ . 1 . ]" 1
916 2 26 LEU MD1 2 57 MET ME 0.000 . 4.800 2.770 1.961 3.174 . 0 0 "[ . 1 . ]" 1
917 1 22 ALA MB 2 48 ARG QD 0.000 . 4.800 3.169 2.625 3.543 . 0 0 "[ . 1 . ]" 1
918 1 48 ARG QD 2 22 ALA MB 0.000 . 4.800 3.039 2.615 3.577 . 0 0 "[ . 1 . ]" 1
919 1 22 ALA MB 2 48 ARG QB 0.000 . 4.300 2.238 1.958 2.572 . 0 0 "[ . 1 . ]" 1
920 1 48 ARG QB 2 22 ALA MB 0.000 . 4.300 2.150 1.890 2.636 . 0 0 "[ . 1 . ]" 1
921 1 22 ALA MB 2 49 LEU HA 0.000 . 4.000 3.193 2.872 3.341 . 0 0 "[ . 1 . ]" 1
922 1 49 LEU HA 2 22 ALA MB 0.000 . 4.000 3.134 2.930 3.340 . 0 0 "[ . 1 . ]" 1
923 1 22 ALA MB 2 49 LEU QD 0.000 . 4.300 2.333 2.137 2.598 . 0 0 "[ . 1 . ]" 1
924 1 49 LEU QD 2 22 ALA MB 0.000 . 4.300 2.373 1.996 2.841 . 0 0 "[ . 1 . ]" 1
925 1 22 ALA HA 2 49 LEU QD 0.000 . 4.300 2.565 2.071 2.943 . 0 0 "[ . 1 . ]" 1
926 1 49 LEU QD 2 22 ALA HA 0.000 . 4.300 2.588 2.189 2.939 . 0 0 "[ . 1 . ]" 1
927 1 22 ALA H 2 49 LEU QD 0.000 . 4.800 2.902 2.571 3.181 . 0 0 "[ . 1 . ]" 1
928 1 49 LEU QD 2 22 ALA H 0.000 . 4.800 2.951 2.771 3.118 . 0 0 "[ . 1 . ]" 1
929 1 21 ILE HB 2 49 LEU QD 0.000 . 4.300 2.376 2.121 2.589 . 0 0 "[ . 1 . ]" 1
930 1 49 LEU QD 2 21 ILE HB 0.000 . 4.300 2.364 2.043 2.629 . 0 0 "[ . 1 . ]" 1
931 1 21 ILE MD 2 49 LEU QD 0.000 . 5.100 2.892 2.749 3.117 . 0 0 "[ . 1 . ]" 1
932 1 49 LEU QD 2 21 ILE MD 0.000 . 5.100 2.841 2.514 3.042 . 0 0 "[ . 1 . ]" 1
933 1 15 SER H 2 42 LEU QD 4.000 4.000 4.800 3.486 3.383 3.599 0.617 7 10 "[* **.*+ -* *.** ]" 1
934 1 42 LEU QD 2 15 SER H 4.000 4.000 4.800 3.521 3.420 3.652 0.580 1 7 "[+** ** 1 .-* ]" 1
935 1 15 SER HA 2 42 LEU QD 0.000 . 4.800 2.780 2.509 2.962 . 0 0 "[ . 1 . ]" 1
936 1 42 LEU QD 2 15 SER HA 0.000 . 4.800 2.810 2.624 2.959 . 0 0 "[ . 1 . ]" 1
937 1 15 SER QB 2 42 LEU QD 4.000 4.000 4.800 2.912 2.898 2.923 1.102 1 18 [+************-****] 1
938 1 42 LEU QD 2 15 SER QB 4.000 4.000 4.800 2.917 2.905 2.933 1.095 6 18 [*****+********-***] 1
939 1 15 SER QB 2 41 ILE MG 0.000 . 4.300 2.438 2.218 2.755 . 0 0 "[ . 1 . ]" 1
940 1 41 ILE MG 2 15 SER QB 0.000 . 4.300 2.464 2.225 2.737 . 0 0 "[ . 1 . ]" 1
941 1 15 SER QB 2 42 LEU HB2 0.000 . 4.000 3.585 3.562 3.608 . 0 0 "[ . 1 . ]" 1
942 1 42 LEU HB2 2 15 SER QB 0.000 . 4.000 3.593 3.561 3.613 . 0 0 "[ . 1 . ]" 1
943 1 15 SER QB 2 42 LEU H 0.000 . 4.800 4.112 3.968 4.248 . 0 0 "[ . 1 . ]" 1
944 1 42 LEU H 2 15 SER QB 0.000 . 4.800 4.160 4.045 4.281 . 0 0 "[ . 1 . ]" 1
945 1 18 ALA HA 2 49 LEU QD 0.000 . 4.800 3.005 2.778 3.299 . 0 0 "[ . 1 . ]" 1
946 1 49 LEU QD 2 18 ALA HA 0.000 . 4.800 3.034 2.766 3.405 . 0 0 "[ . 1 . ]" 1
947 1 18 ALA MB 2 49 LEU QD 0.000 . 4.300 2.250 2.037 2.539 . 0 0 "[ . 1 . ]" 1
948 1 49 LEU QD 2 18 ALA MB 0.000 . 4.300 2.350 2.007 2.631 . 0 0 "[ . 1 . ]" 1
949 1 18 ALA MB 2 45 SER QB 0.000 . 4.300 1.968 1.866 2.148 . 0 0 "[ . 1 . ]" 1
950 1 45 SER QB 2 18 ALA MB 0.000 . 4.300 1.965 1.869 2.313 . 0 0 "[ . 1 . ]" 1
951 1 19 ASP HA 2 48 ARG QD 0.000 . 5.300 3.733 3.317 4.261 . 0 0 "[ . 1 . ]" 1
952 1 48 ARG QD 2 19 ASP HA 0.000 . 5.300 3.582 3.258 4.011 . 0 0 "[ . 1 . ]" 1
953 1 12 ILE MD 2 38 GLU QB 3.200 3.200 4.800 3.437 2.926 3.578 0.274 4 0 "[ . 1 . ]" 1
954 1 38 GLU QB 2 12 ILE MD 3.200 3.200 4.800 3.464 3.161 3.569 0.039 15 0 "[ . 1 . ]" 1
955 1 12 ILE MD 2 38 GLU HA 3.200 3.200 4.800 3.958 3.652 4.028 . 0 0 "[ . 1 . ]" 1
956 1 38 GLU HA 2 12 ILE MD 3.200 3.200 4.800 3.941 3.658 4.032 . 0 0 "[ . 1 . ]" 1
957 1 8 THR MG 2 38 GLU QG 3.200 3.200 5.600 2.987 2.358 3.773 0.842 9 3 "[ *. +1 -. ]" 1
958 1 38 GLU QG 2 8 THR MG 3.200 3.200 5.600 2.782 2.373 3.359 0.827 15 9 "[*** . *** *+ -]" 1
959 1 11 ILE MG 2 38 GLU QG 3.200 3.200 5.600 3.903 3.609 4.103 . 0 0 "[ . 1 . ]" 1
960 1 38 GLU QG 2 11 ILE MG 3.200 3.200 5.600 3.918 3.619 4.143 . 0 0 "[ . 1 . ]" 1
961 1 14 LEU HB3 2 42 LEU QD 0.000 . 3.800 2.972 2.820 3.105 . 0 0 "[ . 1 . ]" 1
962 1 42 LEU QD 2 14 LEU HB3 0.000 . 3.800 3.010 2.828 3.133 . 0 0 "[ . 1 . ]" 1
963 1 42 LEU QD 2 46 ILE MD 0.000 . 5.600 2.918 2.604 3.086 . 0 0 "[ . 1 . ]" 1
964 1 46 ILE MD 2 42 LEU QD 0.000 . 5.600 2.885 2.585 3.096 . 0 0 "[ . 1 . ]" 1
965 1 42 LEU QD 2 11 ILE MG 0.000 . 5.600 2.813 2.657 3.023 . 0 0 "[ . 1 . ]" 1
966 1 11 ILE MG 2 42 LEU QD 0.000 . 5.600 2.846 2.741 2.949 . 0 0 "[ . 1 . ]" 1
967 1 42 LEU QD 2 11 ILE HA 0.000 . 4.800 3.753 3.538 3.847 . 0 0 "[ . 1 . ]" 1
968 1 11 ILE HA 2 42 LEU QD 0.000 . 4.800 3.782 3.675 3.865 . 0 0 "[ . 1 . ]" 1
969 1 42 LEU HB2 2 11 ILE MG 0.000 . 4.000 3.148 2.795 3.338 . 0 0 "[ . 1 . ]" 1
970 1 11 ILE MG 2 42 LEU HB2 0.000 . 4.000 3.213 2.949 3.347 . 0 0 "[ . 1 . ]" 1
971 1 49 LEU H 2 22 ALA MB 0.000 . 4.800 3.565 3.335 3.832 . 0 0 "[ . 1 . ]" 1
972 1 22 ALA MB 2 49 LEU H 0.000 . 4.800 3.612 3.291 3.881 . 0 0 "[ . 1 . ]" 1
973 1 53 LEU HA 2 52 SER QB 0.000 . 5.300 4.741 4.708 4.766 . 0 0 "[ . 1 . ]" 1
974 1 52 SER QB 2 53 LEU HA 0.000 . 5.300 4.744 4.688 4.782 . 0 0 "[ . 1 . ]" 1
975 1 42 LEU CD2 2 42 LEU CD2 3.500 3.500 6.500 3.298 3.155 3.488 0.345 6 0 "[ . 1 . ]" 1
976 1 49 LEU QB 2 49 LEU QD . 3.500 4.000 2.354 2.213 2.578 1.287 10 18 [*-*******+********] 1
977 1 49 LEU QD 2 49 LEU QB . 3.500 4.000 2.319 2.199 2.505 1.301 11 18 [********-*+*******] 1
978 1 53 LEU MD2 2 52 SER QB 0.000 . 4.000 1.821 1.716 1.917 . 0 0 "[ . 1 . ]" 1
979 1 52 SER QB 2 53 LEU MD2 0.000 . 4.000 1.849 1.762 1.972 . 0 0 "[ . 1 . ]" 1
980 1 56 ALA MB 2 56 ALA MB 0.000 . 4.300 1.851 1.731 1.968 . 0 0 "[ . 1 . ]" 1
981 1 56 ALA MB 2 53 LEU MD2 0.000 . 4.800 3.071 2.809 3.331 . 0 0 "[ . 1 . ]" 1
982 1 53 LEU MD2 2 56 ALA MB 0.000 . 4.800 2.925 2.431 3.227 . 0 0 "[ . 1 . ]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 64
_Distance_constraint_stats_list.Viol_count 184
_Distance_constraint_stats_list.Viol_total 2312.188
_Distance_constraint_stats_list.Viol_max 1.884
_Distance_constraint_stats_list.Viol_rms 0.3392
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1115
_Distance_constraint_stats_list.Viol_average_violations_only 0.6981
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 11 ILE 0.000 0.000 . 0 "[ . 1 . ]"
1 12 ILE 0.000 0.000 . 0 "[ . 1 . ]"
1 13 GLU 2.104 1.028 5 2 "[ + -1 . ]"
1 14 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 15 SER 0.000 0.000 . 0 "[ . 1 . ]"
1 16 ASN 0.000 0.000 . 0 "[ . 1 . ]"
1 17 THR 0.000 0.000 . 0 "[ . 1 . ]"
1 18 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 19 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 20 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 21 ILE 0.000 0.000 . 0 "[ . 1 . ]"
1 22 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 23 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 24 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 25 ASN 0.000 0.000 . 0 "[ . 1 . ]"
1 30 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 32 HIS 2.104 1.028 5 2 "[ + -1 . ]"
1 33 GLN 0.000 0.000 . 0 "[ . 1 . ]"
1 35 ARG 13.820 0.602 14 16 "[*****-* ** **+****]"
1 37 ASP 45.900 1.854 11 18 [*****-****+*******]
1 38 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 39 ILE 0.000 0.000 . 0 "[ . 1 . ]"
1 40 GLY 32.081 1.854 11 18 [*********-+*******]
1 41 ILE 0.000 0.000 . 0 "[ . 1 . ]"
1 42 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 43 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 44 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 45 SER 0.000 0.000 . 0 "[ . 1 . ]"
1 46 ILE 0.000 0.000 . 0 "[ . 1 . ]"
1 47 GLU 16.993 0.693 16 17 "[*****-** ******+**]"
1 48 ARG 0.000 0.000 . 0 "[ . 1 . ]"
1 49 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 50 ARG 16.993 0.693 16 17 "[*****-** ******+**]"
1 51 ARG 0.000 0.000 . 0 "[ . 1 . ]"
1 52 SER 0.000 0.000 . 0 "[ . 1 . ]"
1 53 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 54 LYS 0.000 0.000 . 0 "[ . 1 . ]"
2 11 ILE 0.000 0.000 . 0 "[ . 1 . ]"
2 12 ILE 0.000 0.000 . 0 "[ . 1 . ]"
2 13 GLU 0.292 0.292 3 0 "[ . 1 . ]"
2 14 LEU 0.000 0.000 . 0 "[ . 1 . ]"
2 15 SER 0.000 0.000 . 0 "[ . 1 . ]"
2 16 ASN 0.000 0.000 . 0 "[ . 1 . ]"
2 17 THR 0.000 0.000 . 0 "[ . 1 . ]"
2 18 ALA 0.000 0.000 . 0 "[ . 1 . ]"
2 19 ASP 0.000 0.000 . 0 "[ . 1 . ]"
2 20 LYS 0.000 0.000 . 0 "[ . 1 . ]"
2 21 ILE 0.000 0.000 . 0 "[ . 1 . ]"
2 22 ALA 0.000 0.000 . 0 "[ . 1 . ]"
2 23 GLU 0.000 0.000 . 0 "[ . 1 . ]"
2 24 GLY 0.000 0.000 . 0 "[ . 1 . ]"
2 25 ASN 0.000 0.000 . 0 "[ . 1 . ]"
2 30 VAL 0.000 0.000 . 0 "[ . 1 . ]"
2 32 HIS 0.292 0.292 3 0 "[ . 1 . ]"
2 33 GLN 0.000 0.000 . 0 "[ . 1 . ]"
2 35 ARG 13.851 0.618 18 11 "[ * - **** ** ** +]"
2 37 ASP 46.251 1.884 17 18 [****-***********+*]
2 38 GLU 0.000 0.000 . 0 "[ . 1 . ]"
2 39 ILE 0.000 0.000 . 0 "[ . 1 . ]"
2 40 GLY 32.400 1.884 17 18 [***************-+*]
2 41 ILE 0.000 0.000 . 0 "[ . 1 . ]"
2 42 LEU 0.000 0.000 . 0 "[ . 1 . ]"
2 43 ALA 0.000 0.000 . 0 "[ . 1 . ]"
2 44 LYS 0.000 0.000 . 0 "[ . 1 . ]"
2 45 SER 0.000 0.000 . 0 "[ . 1 . ]"
2 46 ILE 0.000 0.000 . 0 "[ . 1 . ]"
2 47 GLU 16.914 0.734 12 15 "[****-***** +*** *]"
2 48 ARG 0.000 0.000 . 0 "[ . 1 . ]"
2 49 LEU 0.000 0.000 . 0 "[ . 1 . ]"
2 50 ARG 16.914 0.734 12 15 "[****-***** +*** *]"
2 51 ARG 0.000 0.000 . 0 "[ . 1 . ]"
2 52 SER 0.000 0.000 . 0 "[ . 1 . ]"
2 53 LEU 0.000 0.000 . 0 "[ . 1 . ]"
2 54 LYS 0.000 0.000 . 0 "[ . 1 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 11 ILE O 1 15 SER H 2.200 . 2.600 2.119 2.043 2.242 . 0 0 "[ . 1 . ]" 2
2 1 12 ILE O 1 16 ASN H 2.200 . 2.600 2.032 1.999 2.076 . 0 0 "[ . 1 . ]" 2
3 1 13 GLU O 1 17 THR H 2.200 . 2.600 2.086 2.011 2.159 . 0 0 "[ . 1 . ]" 2
4 1 14 LEU O 1 18 ALA H 2.200 . 2.600 2.126 2.067 2.195 . 0 0 "[ . 1 . ]" 2
5 1 15 SER O 1 19 ASP H 2.200 . 2.600 2.155 2.108 2.227 . 0 0 "[ . 1 . ]" 2
6 1 16 ASN O 1 20 LYS H 2.200 . 2.600 2.209 2.131 2.300 . 0 0 "[ . 1 . ]" 2
7 1 17 THR O 1 21 ILE H 2.200 . 2.600 2.190 2.138 2.244 . 0 0 "[ . 1 . ]" 2
8 1 18 ALA O 1 22 ALA H 2.200 . 2.600 2.141 2.079 2.219 . 0 0 "[ . 1 . ]" 2
9 1 19 ASP O 1 23 GLU H 2.200 . 2.600 2.296 2.206 2.397 . 0 0 "[ . 1 . ]" 2
10 1 21 ILE O 1 24 GLY H 2.200 . 2.600 1.939 1.885 1.981 . 0 0 "[ . 1 . ]" 2
11 1 21 ILE O 1 25 ASN H 2.200 . 2.600 2.363 2.315 2.415 . 0 0 "[ . 1 . ]" 2
12 1 37 ASP O 1 41 ILE H 2.200 . 2.600 2.190 2.129 2.259 . 0 0 "[ . 1 . ]" 2
13 1 38 GLU O 1 42 LEU H 2.200 . 2.600 2.254 2.195 2.299 . 0 0 "[ . 1 . ]" 2
14 1 39 ILE O 1 43 ALA H 2.200 . 2.600 2.120 2.065 2.156 . 0 0 "[ . 1 . ]" 2
15 1 40 GLY O 1 44 LYS H 2.200 . 2.600 2.123 2.036 2.237 . 0 0 "[ . 1 . ]" 2
16 1 41 ILE O 1 45 SER H 2.200 . 2.600 2.207 2.120 2.285 . 0 0 "[ . 1 . ]" 2
17 1 42 LEU O 1 46 ILE H 2.200 . 2.600 2.307 2.258 2.385 . 0 0 "[ . 1 . ]" 2
18 1 43 ALA O 1 47 GLU H 2.200 . 2.600 2.203 2.155 2.240 . 0 0 "[ . 1 . ]" 2
19 1 44 LYS O 1 48 ARG H 2.200 . 2.600 2.128 2.032 2.195 . 0 0 "[ . 1 . ]" 2
20 1 45 SER O 1 49 LEU H 2.200 . 2.600 2.192 2.129 2.255 . 0 0 "[ . 1 . ]" 2
21 1 46 ILE O 1 50 ARG H 2.200 . 2.600 2.152 2.058 2.204 . 0 0 "[ . 1 . ]" 2
22 1 47 GLU O 1 51 ARG H 2.200 . 2.600 2.173 2.092 2.244 . 0 0 "[ . 1 . ]" 2
23 1 48 ARG O 1 52 SER H 2.200 . 2.600 2.201 2.134 2.280 . 0 0 "[ . 1 . ]" 2
24 1 49 LEU O 1 53 LEU H 2.200 . 2.600 2.205 2.123 2.291 . 0 0 "[ . 1 . ]" 2
25 1 50 ARG O 1 54 LYS H 2.200 . 2.600 2.194 2.091 2.290 . 0 0 "[ . 1 . ]" 2
26 1 30 VAL O 1 33 GLN HE21 2.200 . 2.600 2.146 2.076 2.189 . 0 0 "[ . 1 . ]" 2
27 1 37 ASP OD2 1 40 GLY H 2.200 . 2.600 4.382 4.275 4.454 1.854 11 18 [*********-+*******] 2
28 1 35 ARG HE 1 37 ASP OD2 2.200 . 2.600 2.831 2.737 2.906 0.306 4 0 "[ . 1 . ]" 2
29 1 35 ARG QH2 1 37 ASP OD1 2.200 . 2.600 3.137 3.092 3.202 0.602 14 16 "[*****-* ** **+****]" 2
30 1 47 GLU OE2 1 50 ARG HE 2.200 . 2.600 3.152 2.883 3.293 0.693 16 13 "[** ** * *- ***+**]" 2
31 1 47 GLU OE1 1 50 ARG HH21 2.200 . 2.600 2.992 2.811 3.180 0.580 3 4 "[ + .-* 1 * . ]" 2
32 1 13 GLU OE1 1 32 HIS NE2 3.100 2.600 3.500 3.300 2.628 4.528 1.028 5 2 "[ + -1 . ]" 2
33 2 11 ILE O 2 15 SER H 2.200 . 2.600 2.094 2.008 2.172 . 0 0 "[ . 1 . ]" 2
34 2 12 ILE O 2 16 ASN H 2.200 . 2.600 2.028 1.995 2.077 . 0 0 "[ . 1 . ]" 2
35 2 13 GLU O 2 17 THR H 2.200 . 2.600 2.094 2.040 2.140 . 0 0 "[ . 1 . ]" 2
36 2 14 LEU O 2 18 ALA H 2.200 . 2.600 2.105 2.048 2.169 . 0 0 "[ . 1 . ]" 2
37 2 15 SER O 2 19 ASP H 2.200 . 2.600 2.158 2.113 2.203 . 0 0 "[ . 1 . ]" 2
38 2 16 ASN O 2 20 LYS H 2.200 . 2.600 2.229 2.157 2.317 . 0 0 "[ . 1 . ]" 2
39 2 17 THR O 2 21 ILE H 2.200 . 2.600 2.191 2.105 2.269 . 0 0 "[ . 1 . ]" 2
40 2 18 ALA O 2 22 ALA H 2.200 . 2.600 2.141 2.082 2.221 . 0 0 "[ . 1 . ]" 2
41 2 19 ASP O 2 23 GLU H 2.200 . 2.600 2.298 2.254 2.345 . 0 0 "[ . 1 . ]" 2
42 2 21 ILE O 2 24 GLY H 2.200 . 2.600 1.925 1.867 1.972 . 0 0 "[ . 1 . ]" 2
43 2 21 ILE O 2 25 ASN H 2.200 . 2.600 2.379 2.331 2.441 . 0 0 "[ . 1 . ]" 2
44 2 37 ASP O 2 41 ILE H 2.200 . 2.600 2.185 2.073 2.243 . 0 0 "[ . 1 . ]" 2
45 2 38 GLU O 2 42 LEU H 2.200 . 2.600 2.264 2.198 2.332 . 0 0 "[ . 1 . ]" 2
46 2 39 ILE O 2 43 ALA H 2.200 . 2.600 2.112 2.045 2.200 . 0 0 "[ . 1 . ]" 2
47 2 40 GLY O 2 44 LYS H 2.200 . 2.600 2.113 2.068 2.166 . 0 0 "[ . 1 . ]" 2
48 2 41 ILE O 2 45 SER H 2.200 . 2.600 2.217 2.124 2.318 . 0 0 "[ . 1 . ]" 2
49 2 42 LEU O 2 46 ILE H 2.200 . 2.600 2.304 2.258 2.382 . 0 0 "[ . 1 . ]" 2
50 2 43 ALA O 2 47 GLU H 2.200 . 2.600 2.198 2.131 2.247 . 0 0 "[ . 1 . ]" 2
51 2 44 LYS O 2 48 ARG H 2.200 . 2.600 2.147 2.066 2.244 . 0 0 "[ . 1 . ]" 2
52 2 45 SER O 2 49 LEU H 2.200 . 2.600 2.196 2.080 2.257 . 0 0 "[ . 1 . ]" 2
53 2 46 ILE O 2 50 ARG H 2.200 . 2.600 2.157 2.098 2.219 . 0 0 "[ . 1 . ]" 2
54 2 47 GLU O 2 51 ARG H 2.200 . 2.600 2.160 2.095 2.207 . 0 0 "[ . 1 . ]" 2
55 2 48 ARG O 2 52 SER H 2.200 . 2.600 2.238 2.144 2.331 . 0 0 "[ . 1 . ]" 2
56 2 49 LEU O 2 53 LEU H 2.200 . 2.600 2.187 2.091 2.261 . 0 0 "[ . 1 . ]" 2
57 2 50 ARG O 2 54 LYS H 2.200 . 2.600 2.169 2.044 2.310 . 0 0 "[ . 1 . ]" 2
58 2 30 VAL O 2 33 GLN HE21 2.200 . 2.600 2.146 2.114 2.200 . 0 0 "[ . 1 . ]" 2
59 2 37 ASP OD2 2 40 GLY H 2.200 . 2.600 4.400 4.317 4.484 1.884 17 18 [***************-+*] 2
60 2 35 ARG HE 2 37 ASP OD2 2.200 . 2.600 2.867 2.738 2.958 0.358 4 0 "[ . 1 . ]" 2
61 2 35 ARG QH2 2 37 ASP OD1 2.200 . 2.600 3.103 2.987 3.218 0.618 18 11 "[ * - **** ** ** +]" 2
62 2 47 GLU OE2 2 50 ARG HE 2.200 . 2.600 3.162 2.947 3.334 0.734 12 13 "[****-* *** +**. *]" 2
63 2 47 GLU OE1 2 50 ARG HH21 2.200 . 2.600 2.978 2.744 3.166 0.566 15 2 "[ . - 1 + ]" 2
64 2 13 GLU OE1 2 32 HIS NE2 3.100 2.600 3.500 2.998 2.639 3.792 0.292 3 0 "[ . 1 . ]" 2
stop_
save_